Geometry & MOs

Info

ID:	192222
PubChem CID:	78247770
Reduced:	N2O4H30C31 (1)
Stoich.:	A2B4C30D31 (1)
Weight, g/mol:	371.149463
ΔH_f, kcal/mol:	-63.41
Dipole, Da:	3.6
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3,4-diethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)OC5=CC=CC=C5)CC6=CN=CC=C6)C

DOS

IR

Vibrations