Geometry & MOs

Info

ID:	169862
PubChem CID:	75158920
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	467.185481
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	2.19
IP(EA), eV:	-8.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-1-[3-(4-propan-2-ylpiperazine-1-carbonyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C=CN2C(C1=O)CC(N2)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations