Geometry & MOs

Info

ID:	152452
PubChem CID:	56311382
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	443.216869
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	7.52
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(2-methoxyethyl)-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)CCC(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations