Geometry & MOs

Info

ID:	214319
PubChem CID:	84975076
Reduced:	ClN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	372.12407
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	5.89
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

DOS

IR

Vibrations