Geometry & MOs

Info

ID:	378974
PubChem CID:	134228627
Reduced:	FO2N7C17H20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	1.14
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-bis(methoxymethyl)-2-methyl-8-propan-2-yl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)N)F)N3C=NN(C3=O)CC(C)(C)O

DOS

IR

Vibrations