Geometry & MOs

Info

ID:	350665
PubChem CID:	127278953
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	6.88
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-(quinoline-6-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations