Geometry & MOs

Info

ID:	369122
PubChem CID:	127331310
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	8.29
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-N-cyclopropyl-1-ethyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=NC=NC(=C12)NC(=O)C3=CC4=C(S3)CCOC4)C

DOS

IR

Vibrations