Geometry & MOs

Info

ID:	258883
PubChem CID:	103157330
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	2.05
IP(EA), eV:	-8.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)N)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations