Geometry & MOs

Info

ID:	197443
PubChem CID:	78965662
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	9.57
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-nitrophenyl)-2-(ethylamino)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCOCCC(=O)NC1=C(C=C(C=C1)C#N)N

DOS

IR

Vibrations