Geometry & MOs

Info

ID:	199088
PubChem CID:	79195897
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	6.08
IP(EA), eV:	-9.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NCCC1=CC=C(C=C1)F

DOS

IR

Vibrations