Geometry & MOs

Info

ID:	143698
PubChem CID:	53250186
Reduced:	SO2N6C28H30 (1)
Stoich.:	AB2C6D28E30 (1)
Weight, g/mol:	449.315461
ΔH_f, kcal/mol:	7.55
Dipole, Da:	9.38
IP(EA), eV:	-8.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CC(=N3)N(C)CCC4=CC=CC=C4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations