Geometry & MOs

Info

ID:	433589
PubChem CID:	135173729
Reduced:	ClN6C37H41 (1)
Stoich.:	AB6C37D41 (1)
Weight, g/mol:	408.03525
ΔH_f, kcal/mol:	129.02
Dipole, Da:	3.59
IP(EA), eV:	-8.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-(3-bromo-2-chloroanilino)-4a,8a-dihydro-1,7-naphthyridin-3-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CCN/C=C(/C=C)\C=C(/C)\C(=C)NC1=CC=CC(=C1Cl)C2=C(C(=CC=C2)NC3=NC=CC4=CC(=CN=C43)CN5CCCC5)C

DOS

IR

Vibrations