Geometry & MOs

Info

ID:	152730
PubChem CID:	56311789
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	492.138675
ΔH_f, kcal/mol:	-77.08
Dipole, Da:	5.46
IP(EA), eV:	-9.02(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations