Geometry & MOs

Info

ID:	148190
PubChem CID:	53787852
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	450.274324
ΔH_f, kcal/mol:	47.9
Dipole, Da:	4.7
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-1-methyl-1,2,4,6a,9,10b-hexahydropyrido[4,3-c][1,8]naphthyridin-3-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C=CC1=CC=CN2C1=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations