Geometry & MOs

Info

ID:	435014
PubChem CID:	135177416
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	432.152158
ΔH_f, kcal/mol:	42.63
Dipole, Da:	5.51
IP(EA), eV:	-8.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCO2)C3CN(C3)C4=NN=C(N4C5=CN=C(C=C5)OC)C

DOS

IR

Vibrations