Geometry & MOs

Info

ID:	312337
PubChem CID:	126604331
Reduced:	N2S2O8C21H30 (1)
Stoich.:	A2B2C8D21E30 (1)
Weight, g/mol:	361.251798
ΔH_f, kcal/mol:	-336.81
Dipole, Da:	2.08
IP(EA), eV:	-9.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-phenylpiperazin-1-yl)propyl]-1-propan-2-ylindole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CC(C(C2)C(=O)O)C3CCCN(C3)C(=O)OCCS(=O)(=O)C

DOS

IR

Vibrations