Geometry & MOs

Info

ID:	403389
PubChem CID:	135060008
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	398.143056
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	1.42
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-7-fluoro-4-phenyl-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=C(C3=CC=CC=C3N2C)C(=C1C)SC

DOS

IR

Vibrations