Geometry & MOs

Info

ID:	152713
PubChem CID:	56311768
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	498.295454
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	4.79
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations