Geometry & MOs

Info

ID:	81029
PubChem CID:	49854269
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[2-(3-methoxyphenyl)propan-2-ylamino]propanoyl]-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NCCC(=O)N2CC(C3=CC=CC=C32)CCC(=O)O

DOS

IR

Vibrations