Geometry & MOs

Info

ID:	289960
PubChem CID:	104391747
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	234.113506
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	3.58
IP(EA), eV:	-9.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloropropanoylamino)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)NC(=O)C1=CC=CC(=C1)CCl

DOS

IR

Vibrations