Geometry & MOs

Info

ID:	364656
PubChem CID:	127315951
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	6.22
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations