Geometry & MOs

Info

ID:	361257
PubChem CID:	127302421
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-50.6
Dipole, Da:	6.27
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(4-ethylcyclohexyl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(C)(C)CNC(=O)C2=NN(C3=CC=CC=C3C2=O)C)C

DOS

IR

Vibrations