Geometry & MOs

Info

ID:	284004
PubChem CID:	104025659
Reduced:	ClNS2O3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	4.84
IP(EA), eV:	-9.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)S(=O)(=O)C3=CC(=CS3)CCl

DOS

IR

Vibrations