Geometry & MOs

Info

ID:	329590
PubChem CID:	126738698
Reduced:	FN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	477.314398
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	4.43
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-3-ethynyl-6,6-dimethyl-11-methylidene-8-(4-piperidin-1-ylpiperidin-1-yl)-5H-benzo[b]carbazole

Drug info:

PubChemData

Smile

CC(C)CC1C2=C(CCN1C(=O)CNC(=O)OC(C)(C)C)C3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations