Geometry & MOs

Info

ID:	363052
PubChem CID:	127310083
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	3.73
IP(EA), eV:	-8.93(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations