Geometry & MOs

Info

ID:	449917
PubChem CID:	135302528
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	398.103335
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	6.19
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,3-benzodioxol-5-yl)-3-[4-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations