Geometry & MOs

Info

ID:	277819
PubChem CID:	103831085
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	227.163377
ΔH_f, kcal/mol:	-65.65
Dipole, Da:	2.16
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)C1=CC2=CC=CC=C2O1)N

DOS

IR

Vibrations