Geometry & MOs

Info

ID:	80629
PubChem CID:	49835622
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	452.209137
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	7.53
IP(EA), eV:	-8.34(-0.81)
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]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C3=CC(=C(C=C3)Cl)C4=NC5=C(N4)C=NC=C5

DOS

IR

Vibrations