Geometry & MOs

Info

ID:	403386
PubChem CID:	135059963
Reduced:	ClFIN2O4H23C29 (1)
Stoich.:	ABCD2E4F23G29 (1)
Weight, g/mol:	310.110613
ΔH_f, kcal/mol:	-107.39
Dipole, Da:	2.68
IP(EA), eV:	-8.52(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(1,9-dihydropyrido[2,3-b]indol-2-ylidene)naphthalen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=C(C=CC(=C2)F)C3=C1N(C(=C(C3C4=CC=CC=C4Cl)I)C5=CC=CC=C5)C(=O)OCC

DOS

IR

Vibrations