Geometry & MOs

Info

ID:	80628
PubChem CID:	49835618
Reduced:	ClO2N7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	46.63
Dipole, Da:	2.87
IP(EA), eV:	-8.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCNC1=C(N=CC(=C1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=CN(N=C5Cl)C)C)OC

DOS

IR

Vibrations