Geometry & MOs

Info

ID:	11792
PubChem CID:	121046
Reduced:	ON3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	425.246713
ΔH_f, kcal/mol:	52.0
Dipole, Da:	2.29
IP(EA), eV:	-8.04(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]indole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations