Geometry & MOs

Info

ID:	405368
PubChem CID:	135073695
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	380.147118
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	1.2
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(4-hydroxyphenyl)methyl]-2-[(E)-4-methoxycarbonyloxypent-2-enyl]propanedioate

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CCC1=CC=CN1)CC2=CC=CC=C2

DOS

IR

Vibrations