Geometry & MOs

Info

ID:	335865
PubChem CID:	127254727
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	419.182062
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	10.17
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-[8-(trifluoromethoxy)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1CCCC(=O)NCCCC2=NC3=CC=CC=C3N2)O

DOS

IR

Vibrations