Geometry & MOs

Info

ID:	129896
PubChem CID:	51074202
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	1.43
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2-(1,3-benzothiazol-2-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCN(CC2)CC3=CC(=NO3)C

DOS

IR

Vibrations