Geometry & MOs

Info

ID:	312559
PubChem CID:	126606518
Reduced:	SN2O3C8H14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	311.088161
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	1.88
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-methyl-8-(trifluoromethoxy)-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

Drug info:

PubChemData

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C[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)NC)O)O

DOS

IR

Vibrations