Geometry & MOs

Info

ID:	377160
PubChem CID:	134223198
Reduced:	FON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	4.4
IP(EA), eV:	-8.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-2-(1-hydroxybutan-2-yl)-4,4-dimethyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N(C)C(=O)N(C)C)C(C)(C)C)F

DOS

IR

Vibrations