Geometry & MOs

Info

ID:	216522
PubChem CID:	85086361
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	276.041403
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	2.71
IP(EA), eV:	-9.05(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-amino-4-chloro-2-methyl-7-oxo-8H-1,6-naphthyridine-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=CC(C(C)C)(C(C)C)O)C1=CC=CC=C1O

DOS

IR

Vibrations