Geometry & MOs

Info

ID:	39144
PubChem CID:	8139787
Reduced:	FON2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	312.163791
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	15.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041091
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations