Geometry & MOs

Info

ID:	257344
PubChem CID:	103145388
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	7.95
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CC2CNCCO2

DOS

IR

Vibrations