Geometry & MOs

Info

ID:	128213
PubChem CID:	51035693
Reduced:	FSO4N5C30H38 (1)
Stoich.:	ABC4D5E30F38 (1)
Weight, g/mol:	357.140804
ΔH_f, kcal/mol:	-194.6
Dipole, Da:	6.96
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-(2-fluoro-2-pyridin-4-ylpropyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=C(N2S(=O)(=O)C1)C=C(C=C3)F)C4=CC(=C(C=C4)C(=O)N)NC5CCC(CC5)NC(=O)CN(C)C)C

DOS

IR

Vibrations