Geometry & MOs

Info

ID:	345741
PubChem CID:	127270041
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	377.187005
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	5.63
IP(EA), eV:	-8.9(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(cycloheptanecarbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3CCCCCC3

DOS

IR

Vibrations