Geometry & MOs

Info

ID:	257363
PubChem CID:	103145502
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,5-dimethyl-4-nitrophenyl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C(C)(C)C#N

DOS

IR

Vibrations