Geometry & MOs

Info

ID:	449088
PubChem CID:	135295938
Reduced:	ON3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	183.137162
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	2.19
IP(EA), eV:	-8.81(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NNC(=C)O1

DOS

IR

Vibrations