Geometry & MOs

Info

ID:	152362
PubChem CID:	56311277
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	427.221954
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	4.45
IP(EA), eV:	-8.99(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3Cl)C)C

DOS

IR

Vibrations