Geometry & MOs

Info

ID:	182072
PubChem CID:	76837737
Reduced:	KNO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	355.133907
ΔH_f, kcal/mol:	36.52
Dipole, Da:	11.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.887692
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[2-(4-chlorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C[C-]=C(C=C1)C2CCCC[N-]2.CC(CC(C)[O-])[O-].[K+]

DOS

IR

Vibrations