Geometry & MOs

Info

ID:	31489
PubChem CID:	855782
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	4.29
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(C3CCCCC3)C(=O)C)C

DOS

IR

Vibrations