Geometry & MOs

Info

ID:	277774
PubChem CID:	103830916
Reduced:	OCl2N2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	3.65
IP(EA), eV:	-9.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methylbutan-2-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCC1=C(C=C(C=C1)Cl)Cl)N

DOS

IR

Vibrations