Geometry & MOs

Info

ID:	347993
PubChem CID:	127273055
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	385.149384
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	1.75
IP(EA), eV:	-8.72(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations