Geometry & MOs

Info

ID:	257355
PubChem CID:	103145428
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-34.27
Dipole, Da:	7.41
IP(EA), eV:	-9.53(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,5-dimethyl-4-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CC2CNC2

DOS

IR

Vibrations