Geometry & MOs

Info

ID:	205561
PubChem CID:	80120732
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	3.09
IP(EA), eV:	-8.96(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)methyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCC2)C=C1)NC3COC3

DOS

IR

Vibrations