Geometry & MOs

Info

ID:	43623
PubChem CID:	10321556
Reduced:	ClN2S2O3C21H23 (1)
Stoich.:	AB2C2D3E21F23 (1)
Weight, g/mol:	450.218639
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	7.53
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=C(C3=C(S2)CSCC3)C(=O)C4=CC(=CC=C4)Cl)O

DOS

IR

Vibrations