Geometry & MOs

Info

ID:	285048
PubChem CID:	104093123
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	4.87
IP(EA), eV:	-9.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CN3C=C(N=N3)CCCO

DOS

IR

Vibrations