Geometry & MOs

Info

ID:	80150
PubChem CID:	49833250
Reduced:	ClFO3N5H19C24 (1)
Stoich.:	ABC3D5E19F24 (1)
Weight, g/mol:	565.189897
ΔH_f, kcal/mol:	-29.72
Dipole, Da:	1.9
IP(EA), eV:	-8.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-[3-(diethylamino)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1)CNC(=O)C2=NC(=CN=C2C3=CC=CC=C3F)C4=CC(=CN=C4)Cl)OC

DOS

IR

Vibrations