Geometry & MOs

Info

ID:	130189
PubChem CID:	51075199
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	2.62
IP(EA), eV:	-8.72(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenoxy)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCN2CCC(=O)OC

DOS

IR

Vibrations