Geometry & MOs

Info

ID:	379002
PubChem CID:	134228844
Reduced:	N2O3C17H26 (1)
Stoich.:	A2B3C17D26 (1)
Weight, g/mol:	389.161166
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	5.26
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-2-methoxyphenyl]-2-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C)\OCC(C)C)/C(=N/C(=C(\C)/C(=O)N=O)/C)C

DOS

IR

Vibrations