Geometry & MOs

Info

ID:	133833
PubChem CID:	51597365
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	5.18
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-2-yl]-6-thiophen-3-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C[C@@H](CC2=O)NC(=O)CC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations