Geometry & MOs

Info

ID:	152139
PubChem CID:	56311005
Reduced:	N3O5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	489.237604
ΔH_f, kcal/mol:	-158.85
Dipole, Da:	4.79
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations