Geometry & MOs

Info

ID:	435013
PubChem CID:	135177405
Reduced:	FO2N6C24H29 (1)
Stoich.:	AB2C6D24E29 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	3.74
IP(EA), eV:	-8.75(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]azetidin-3-yl]-7-methyl-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC1(CCN(C2=C1C=C(C=C2)F)C3CN(C3)C4=NN=C(N4C5=CN=C(C=C5)OC)COC)C

DOS

IR

Vibrations