Geometry & MOs

Info

ID:	395804
PubChem CID:	135026609
Reduced:	F2I2O5C20H24 (1)
Stoich.:	A2B2C5D20E24 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-296.99
Dipole, Da:	2.91
IP(EA), eV:	-8.85(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)-9,9-dimethyl-4,6,8,10-tetrahydro-[1,2,4,5]tetrazino[6,1-b][1,3]benzoxazin-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC(=O)OC(C(C1)CC2=C(C=CC(=C2)I)OC)(F)F)I

DOS

IR

Vibrations