Geometry & MOs

Info

ID:	7659
PubChem CID:	73671
Reduced:	ClON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	3.63
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol

Drug info:

PubChemData

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CC(C)(C)[C@@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O

DOS

IR

Vibrations