Geometry & MOs

Info

ID:	402996
PubChem CID:	135058227
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	43.04
Dipole, Da:	3.84
IP(EA), eV:	-9.81(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8R)-5-benzyl-8-phenyl-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-7-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](N2C(=CN=N2)CN1)C3=CC=CC=C3)O

DOS

IR

Vibrations