Geometry & MOs

Info

ID:	179594
PubChem CID:	76507064
Reduced:	ClSO3N5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	5.52
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-3-[(6-benzylidenecyclohexen-1-yl)amino]oxypropan-2-ol

Drug info:

PubChemData

Smile

CCCC1C(=O)N(CCN1C(=O)COC2=CS(=CC2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

DOS

IR

Vibrations