Geometry & MOs

Info

ID:	344656
PubChem CID:	127268244
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-125.51
Dipole, Da:	5.42
IP(EA), eV:	-8.82(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)CC(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations