Geometry & MOs

Info

ID:	31488
PubChem CID:	855781
Reduced:	OSN6C13H20 (1)
Stoich.:	ABC6D13E20 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	1.67
Dipole, Da:	3.78
IP(EA), eV:	-8.82(-0.56)
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]acetamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)CSC1=NC2=NC=NC(=C2N1)N

DOS

IR

Vibrations