Geometry & MOs

Info

ID:

444190

PubChem CID:

135261621

Reduced:

FON8C35H35 (1)

Stoich.:

ABC8D35E35 (1)

Weight, g/mol:

790.335794

ΔHf, kcal/mol:

90.26

Dipole, Da:

5.79

IP(EA), eV:

 -8.32(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-(2,4-dioxopyrimidin-1-yl)isoquinolin-7-yl]oxypentyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C32)F

DOS

IR

Vibrations