Geometry & MOs

Info

ID:	243130
PubChem CID:	99215835
Reduced:	FO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	3.15
IP(EA), eV:	-8.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(prop-2-enoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)OC)OC)F

DOS

IR

Vibrations