Geometry & MOs

Info

ID:	139533
PubChem CID:	52551002
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	1.55
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-[[(2S)-oxolan-2-yl]methyl]-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine

Drug info:

PubChemData

Smile

C[C@@H]1C/C(=C\C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)N[C@H](C)C(=O)N

DOS

IR

Vibrations