Geometry & MOs

Info

ID:	277564
PubChem CID:	103829478
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	170.105528
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	5.0
IP(EA), eV:	-10.14(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2-methylpropoxy)propanamide

Drug info:

PubChemData

Smile

CC(C)CONC(=O)C1=C(C(=NC=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations