Geometry & MOs

Info

ID:	368394
PubChem CID:	127328302
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	4.68
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)CC(=O)NC4CCCCC4)C

DOS

IR

Vibrations