Geometry & MOs

Info

ID:	39369
PubChem CID:	8140502
Reduced:	OCl2N2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	390.0743
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	3.95
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)/C=C/C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations