Geometry & MOs

Info

ID:	277851
PubChem CID:	103831275
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	2.61
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CC=CC2=CC=CC=C21)N

DOS

IR

Vibrations