Geometry & MOs

Info

ID:	213511
PubChem CID:	81063959
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-146.93
Dipole, Da:	1.83
IP(EA), eV:	-10.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations