Geometry & MOs

Info

ID:	416448
PubChem CID:	135089461
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	4.24
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylindol-5-yl)methyl]piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CC[C@]2(CCCN([C@@H]2C1)C(=O)C3=CC4=CC=CC=C4OC=C3)CO

DOS

IR

Vibrations