Geometry & MOs

Info

ID:

188259

PubChem CID:

77690772

Reduced:

F2O5N8C48H52 (1)

Stoich.:

A2B5C8D48E52 (1)

Weight, g/mol:

420.216141

ΔHf, kcal/mol:

-201.06

Dipole, Da:

4.21

IP(EA), eV:

 -8.75(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[1-(oxolane-3-carbonyl)piperidin-4-yl]phenyl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(C1=NC=C(N1)C2=CC3=C(C=C2)C4=C(C3(F)F)C=C(C=C4)C5=CC6=C(C=C5)N=C(N6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)OC)C(C)C)NC(=O)OC

DOS

IR

Vibrations