Geometry & MOs

Info

ID:	39080
PubChem CID:	8139659
Reduced:	ON2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	35.64
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998768
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations