Geometry & MOs

Info

ID:	221166
PubChem CID:	85257106
Reduced:	NOH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	7.83
Dipole, Da:	2.42
IP(EA), eV:	-8.82(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-1-(2-methyl-1,8-naphthyridin-3-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)CC(C(=O)O)N

DOS

IR

Vibrations