Geometry & MOs

Info

ID:	277776
PubChem CID:	103830921
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	3.03
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-butyl-N-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=C(C(=C1)C)Cl)OC)N

DOS

IR

Vibrations