Geometry & MOs

Info

ID:	289959
PubChem CID:	104391729
Reduced:	ClN2O2C10H17 (1)
Stoich.:	AB2C2D10E17 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	2.66
IP(EA), eV:	-9.85(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(chloromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CCl)C(=O)NC(C)C(=O)NC1CC1

DOS

IR

Vibrations