Geometry & MOs

Info

ID:

431318

PubChem CID:

135171389

Reduced:

O3N7C24H26 (2)

Stoich.:

A3B7C24D26 (2)

Weight, g/mol:

433.21139

ΔHf, kcal/mol:

4.78

Dipole, Da:

8.93

IP(EA), eV:

 -8.68(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bicyclo[1.1.1]pentanyl)-5-methyl-6-[4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NCC4=NC(=NC=C4)C5=CC6=NC(=C(N6C=C5)CNC(=O)C7=NN=C(C(=C7)C)N8CCC(CC8)OC9=CN=C(C=C9)OC)C

DOS

IR

Vibrations