Geometry & MOs

Info

ID:	156461
PubChem CID:	56370727
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	391.202655
ΔH_f, kcal/mol:	-99.91
Dipole, Da:	2.44
IP(EA), eV:	-8.84(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-[(1-cycloheptylpyrrolidin-3-yl)amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3CCN(C3)C4CCCCCC4

DOS

IR

Vibrations