Geometry & MOs

Info

ID:	199086
PubChem CID:	79195863
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	7.67
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NC1=C2C=CC=NC2=C(C=C1)Cl

DOS

IR

Vibrations