Geometry & MOs

Info

ID:	403228
PubChem CID:	135059282
Reduced:	NH15C16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	87.32
Dipole, Da:	1.91
IP(EA), eV:	-8.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8R)-3,8-diphenyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-ol

Drug info:

PubChemData

Smile

C1CCC(=CC1)C#CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations