Geometry & MOs

Info

ID:	121794
PubChem CID:	50781442
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-17.12
Dipole, Da:	5.04
IP(EA), eV:	-8.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=C(C=CC=N3)N=C(C2=O)N4CCC(CC4)C(=O)NC

DOS

IR

Vibrations