Geometry & MOs

Info

ID:

396735

PubChem CID:

135029112

Reduced:

NC4O4H8 (1)

Stoich.:

AB4C4D8 (1)

Weight, g/mol:

293.141579

ΔHf, kcal/mol:

-164.72

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754449

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]prop-2-enal

Drug info:

PubChemData

Smile

C(C(=O)[O-])N(CO)CO

DOS

IR

Vibrations