Geometry & MOs

Info

ID:	173450
PubChem CID:	75640241
Reduced:	F2O2N4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	407.100537
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	7.35
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(difluoromethoxy)phenyl]-5-[4-(difluoromethoxy)phenyl]-6,7-dihydrotetrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CC(=NC3=NC=NN23)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations