Geometry & MOs

Info

ID:	364642
PubChem CID:	127315937
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	7.47
IP(EA), eV:	-9.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-benzofuran-3-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2=COC3=CC=CC=C32

DOS

IR

Vibrations