Geometry & MOs

Info

ID:	80182
PubChem CID:	49833429
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	505.132382
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-(4-pyrrolidin-1-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=CN=C(C(=N2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4CCCC4

DOS

IR

Vibrations