Geometry & MOs

Info

ID:	378936
PubChem CID:	134228453
Reduced:	FO4N7C16H16 (1)
Stoich.:	AB4C7D16E16 (1)
Weight, g/mol:	358.1302
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	3.28
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-2-methylphenyl]-4-(oxetan-3-yl)tetrazol-5-one

Drug info:

PubChemData

Smile

CN1C(=O)N2C3=C(C=CC(=C3)NC4=NC=C(C(=N4)N)F)OC(C2=N1)(CO)CO

DOS

IR

Vibrations