Geometry & MOs

Info

ID:	44918
PubChem CID:	10506523
Reduced:	SO3N4H28C31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	536.270879
ΔH_f, kcal/mol:	85.9
Dipole, Da:	8.9
IP(EA), eV:	-8.19(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(4-methylphenyl)methyl]thiophen-2-yl]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C3=C(O2)N(C4(S3)CCCC4)CC5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7

DOS

IR

Vibrations