Geometry & MOs

Info

ID:	355558
PubChem CID:	127289316
Reduced:	ClO2N5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-9.58
Dipole, Da:	6.24
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCN(CC2)CC3=NC=CN3C)Cl

DOS

IR

Vibrations