Geometry & MOs

Info

ID:	364817
PubChem CID:	127316225
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	4.47
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations