Geometry & MOs

Info

ID:	152838
PubChem CID:	56311915
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	476.168225
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	2.67
IP(EA), eV:	-9.02(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations