Geometry & MOs

Info

ID:	162554
PubChem CID:	57395048
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	288.139326
ΔH_f, kcal/mol:	17.9
Dipole, Da:	3.25
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-chloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=CC=C3

DOS

IR

Vibrations