Geometry & MOs

Info

ID:	363039
PubChem CID:	127310070
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	4.59
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)CC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations