Geometry & MOs

Info

ID:	257341
PubChem CID:	103145369
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-87.22
Dipole, Da:	9.75
IP(EA), eV:	-9.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-(2,5-dimethyl-4-nitrophenyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations