Geometry & MOs

Info

ID:	203335
PubChem CID:	79814426
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	6.33
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(2-methyl-2,3-dihydroindole-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC1=CC=C(C=C1)OCC#N)N

DOS

IR

Vibrations