Geometry & MOs

Info

ID:	130797
PubChem CID:	51108172
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	7.34
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CNC2=CC(=C(C=C2)C(=O)N)F

DOS

IR

Vibrations