Geometry & MOs

Info

ID:	378144
PubChem CID:	134224218
Reduced:	NC24H29 (1)
Stoich.:	AB24C29 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	50.15
Dipole, Da:	2.04
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4Z,5E)-5-[2-(benzotriazol-1-yl)ethylidene]-2-(4-fluorophenyl)-4-(2-propan-2-yloxyethylidene)furan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCC(=C)CC1=CC2=C(C=C1)N=C3C=CC(=C)C=C3C2

DOS

IR

Vibrations