Geometry & MOs

Info

ID:	351327
PubChem CID:	127280215
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	3.48
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(quinoline-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations