Geometry & MOs

Info

ID:	183882
PubChem CID:	77085040
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	15.95
Dipole, Da:	5.32
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-[(1-methylindol-6-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CN1C=CN=C1SCCNC(=O)CC2=CC=NC=C2

DOS

IR

Vibrations