Geometry & MOs

Info

ID:	134587
PubChem CID:	51717867
Reduced:	FN3O6C25H26 (1)
Stoich.:	AB3C6D25E26 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-219.69
Dipole, Da:	4.27
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-carboxy-[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1-methylindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)[C@H](C4=CN(C5=C4C=CC(=C5)F)CCC(=O)O)C(=O)O

DOS

IR

Vibrations