Geometry & MOs

Info

ID:	179137
PubChem CID:	76440745
Reduced:	ON6H15C16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	98.63
Dipole, Da:	9.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.829327
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-7-methyl-2,5-dioxo-3,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C=CC3=C(C2=O)N=NC4=[N+]3NC(=N4)C)C

DOS

IR

Vibrations