Geometry & MOs

Info

ID:	369142
PubChem CID:	127331375
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	8.15
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-(cyclopropylmethyl)-1-ethyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC(C3)C4=NOC(=N4)C(C)C

DOS

IR

Vibrations