Geometry & MOs

Info

ID:	126392
PubChem CID:	50963210
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	320.084017
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	1.1
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-chloro-2-fluorophenyl)furan-2-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@@H]2[C@H]([C@H](N1)C3=CC=CC(=C3)C=C)C(=O)N(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations