Geometry & MOs

Info

ID:	39368
PubChem CID:	8140501
Reduced:	OCl2N2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	362.095269
ΔH_f, kcal/mol:	17.96
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003460
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations