Geometry & MOs

Info

ID:

414209

PubChem CID:

135087165

Reduced:

NC14H14 (1)

Stoich.:

AB14C14 (1)

Weight, g/mol:

238.084124

ΔHf, kcal/mol:

48.51

Dipole, Da:

2.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.098291

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-methoxy-3-(2-methoxyphenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=[NH2+])C2=CC=CC=C2

DOS

IR

Vibrations