Geometry & MOs

Info

ID:	132176
PubChem CID:	51315744
Reduced:	ClO2N5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	7.5
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)Cl)C

DOS

IR

Vibrations