Geometry & MOs

Info

ID:	175285
PubChem CID:	75878794
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	3.94
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[2-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC(C)C)CNC(=O)C1=C(N(C(=C1)C)C2=CN=CC=C2)C

DOS

IR

Vibrations