Geometry & MOs

Info

ID:	30212
PubChem CID:	840748
Reduced:	ClNOH6C7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-28.51
Dipole, Da:	2.7
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (Z)-2-cyano-3-(3,4-dimethoxyphenyl)but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NN)COC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations