Geometry & MOs

Info

ID:	39079
PubChem CID:	8139657
Reduced:	ON2F3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	295.181038
ΔH_f, kcal/mol:	-138.31
Dipole, Da:	6.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003993
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations