Geometry & MOs

Info

ID:	329463
PubChem CID:	126737082
Reduced:	O2N3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	250.052698
ΔH_f, kcal/mol:	1.85
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.187769
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-difluoro-4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole

Drug info:

PubChemData

Smile

CC/C=C/C(=O)N1CCN(CC1)C2=CC(=[N+](C3=CC=CC=C32)OC)C

DOS

IR

Vibrations