Geometry & MOs

Info

ID:	417282
PubChem CID:	135091918
Reduced:	SO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	337.226646
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CN3[C@@H]4CC[C@H]3[C@@](C4)(CC5=CSC=N5)C(=O)NC

DOS

IR

Vibrations