Geometry & MOs

Info

ID:	277882
PubChem CID:	103831553
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	271.225977
ΔH_f, kcal/mol:	26.85
Dipole, Da:	4.53
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)N2N=CC=N2)N

DOS

IR

Vibrations