Geometry & MOs

Info

ID:	403385
PubChem CID:	135059959
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	644.03751
ΔH_f, kcal/mol:	21.29
Dipole, Da:	7.46
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(2-chlorophenyl)-7-fluoro-3-iodo-2-phenyl-4H-pyrido[2,3-b]indole-1,9-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(\CC(C#N)C2=C(C=C(C=C2)C)[N+](=O)[O-])/C(=O)C

DOS

IR

Vibrations