Geometry & MOs

Info

ID:	335427
PubChem CID:	127254289
Reduced:	Cl2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	262.062139
ΔH_f, kcal/mol:	1.01
Dipole, Da:	5.04
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-1,2,4-triazol-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

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C1=CC=C(C=C1)[C@@H](C2=NC3=CC=CC=C3N2)N.Cl.Cl

DOS

IR

Vibrations