Geometry & MOs

Info

ID:	368838
PubChem CID:	127330667
Reduced:	S2N7C15H21 (1)
Stoich.:	A2B7C15D21 (1)
Weight, g/mol:	346.193966
ΔH_f, kcal/mol:	114.23
Dipole, Da:	6.54
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-piperidin-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

CC1=CN2C(=N1)SC(=N2)SC3=NN=C(N3C(C)C)C4CCNCC4

DOS

IR

Vibrations