Geometry & MOs

Info

ID:	43084
PubChem CID:	10318381
Reduced:	ON2C26H36 (1)
Stoich.:	AB2C26D36 (1)
Weight, g/mol:	392.107375
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	4.92
IP(EA), eV:	-8.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-4-piperazin-1-yl-1H-pyrrolo[3,2-c]pyridine;hydrochloride

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)CN(C)C

DOS

IR

Vibrations