Geometry & MOs

Info

ID:	148021
PubChem CID:	53787683
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	372.176168
ΔH_f, kcal/mol:	-65.17
Dipole, Da:	3.43
IP(EA), eV:	-8.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(2,4-difluorophenyl)-3-(4-prop-2-ynylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCC1=CC2=C(C=C1)NN(N2C(C)(C)C)O

DOS

IR

Vibrations