Geometry & MOs

Info

ID:	48626
PubChem CID:	11110133
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	324.093249
ΔH_f, kcal/mol:	-36.65
Dipole, Da:	4.73
IP(EA), eV:	-8.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonylmethyl)-3,4-dihydro-2H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CCC1=C2C(=C(NC2=NC(=N1)N)C)CCC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations