Geometry & MOs

Info

ID:	31121
PubChem CID:	854651
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-139.53
Dipole, Da:	8.36
IP(EA), eV:	-8.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enethioamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=C(OC4=C(C(=O)C=CC4=C3O)C)C)OCCO2

DOS

IR

Vibrations