Geometry & MOs

Info

ID:	343031
PubChem CID:	127266194
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	237.080121
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	2.95
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN(C)C(=O)C=C

DOS

IR

Vibrations