Geometry & MOs

Info

ID:	165228
PubChem CID:	74519781
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	361.97246
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	4.9
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromothiophen-2-yl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)OC)OC

DOS

IR

Vibrations