Geometry & MOs

Info

ID:	277857
PubChem CID:	103831327
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	3.39
Dipole, Da:	5.25
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-methyl-N-(3-methylbutyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)CN2C=CC=N2)N

DOS

IR

Vibrations