Geometry & MOs

Info

ID:	136435
PubChem CID:	52042473
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	469.284161
ΔH_f, kcal/mol:	29.49
Dipole, Da:	4.14
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[4-(4-methylphenyl)pyrimidin-2-yl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCN(C2)C3=NC=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations