Geometry & MOs

Info

ID:	88660
PubChem CID:	49955972
Reduced:	ClNO2F3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	440.128956
ΔH_f, kcal/mol:	-133.67
Dipole, Da:	6.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.197527
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]methanamine;chloride

Drug info:

PubChemData

Smile

COCCNCC1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F.[Cl-]

DOS

IR

Vibrations