Geometry & MOs

Info

ID:	152365
PubChem CID:	56311280
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	8.16
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-methyl-5-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations