Geometry & MOs

Info

ID:	77769
PubChem CID:	49658919
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	9.28
IP(EA), eV:	-8.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclohexylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)NC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations