Geometry & MOs

Info

ID:	215979
PubChem CID:	85085532
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	5.09
IP(EA), eV:	-10.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)prop-2-enethioamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1CC(C)C)C#N

DOS

IR

Vibrations