Geometry & MOs

Info

ID:	65332
PubChem CID:	29214683
Reduced:	N5C29H37 (1)
Stoich.:	A5B29C37 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	87.55
Dipole, Da:	1.87
IP(EA), eV:	-8.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN(C)[C@@H](CC2=CC=CC=C2)C3CCN(CC3)CC4=CC5=CC=CC=C5N4)C

DOS

IR

Vibrations