Geometry & MOs

Info

ID:	277843
PubChem CID:	103831215
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	2.2
IP(EA), eV:	-8.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamido-3-methylphenyl)-2-aminohexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)C2=COC(=N2)C)N

DOS

IR

Vibrations