Geometry & MOs

Info

ID:	126025
PubChem CID:	50948906
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	4.87
IP(EA), eV:	-9.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(prop-2-enylamino)benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1(CC1)C2=CC=CC=C2F)OC3=CN=CC=C3

DOS

IR

Vibrations