Geometry & MOs

Info

ID:	217868
PubChem CID:	85088511
Reduced:	OSN7C20H25 (1)
Stoich.:	ABC7D20E25 (1)
Weight, g/mol:	404.00395
ΔH_f, kcal/mol:	57.83
Dipole, Da:	4.64
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(7-bromo-1,5-naphthyridin-4-yl)imino]-4-chloro-2-[(dimethylamino)methyl]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1C=C(C=C2)SC3=CC=CC=C3CNC(=O)NC4CCNN4

DOS

IR

Vibrations