Geometry & MOs

Info

ID:	277875
PubChem CID:	103831477
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	4.3
IP(EA), eV:	-8.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CN(N=C1)CC2CCCO2)N

DOS

IR

Vibrations