Geometry & MOs

Info

ID:	81212
PubChem CID:	49854469
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	2.81
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[[1-(3-methoxyphenyl)cyclopropyl]amino]propanoyl]-2,3-dihydroindol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NCCC(=O)N2CCC3=C(C=CC=C32)CCC(=O)O

DOS

IR

Vibrations