Geometry & MOs

Info

ID:	358990
PubChem CID:	127297182
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-91.2
Dipole, Da:	3.48
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-cyano-6-methylpyridine-2-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC(=O)CN2CCN(CC2)C(=O)CCC3=CC=NC=C3

DOS

IR

Vibrations