Geometry & MOs

Info

ID:	367875
PubChem CID:	127326008
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-193.02
Dipole, Da:	5.72
IP(EA), eV:	-9.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1COCCN1C(=O)C2CCC3(CC2)C(=O)NC(=O)N3

DOS

IR

Vibrations