Geometry & MOs

Info

ID:	81115
PubChem CID:	49854367
Reduced:	FN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-160.64
Dipole, Da:	2.46
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[[1-(3-methoxyphenyl)cyclopropyl]amino]propanoyl]-5-methyl-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2(CC2)NCCC(=O)N3CC(C4=C3C=CC(=C4)F)CCC(=O)O

DOS

IR

Vibrations