Geometry & MOs

Info

ID:	257393
PubChem CID:	103145767
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	9.68
IP(EA), eV:	-9.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)N2CCC(C2=O)NC(C)C

DOS

IR

Vibrations