Geometry & MOs

Info

ID:	162371
PubChem CID:	57394469
Reduced:	OCl2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	471.255563
ΔH_f, kcal/mol:	0.0
Dipole, Da:	6.36
IP(EA), eV:	-9.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopentyl-5-propylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=CC=C2)CCC(=O)NCC3=NC4=CC(=C(C=C4N3)Cl)Cl

DOS

IR

Vibrations