Geometry & MOs

Info

ID:	264357
PubChem CID:	103456913
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	3.84
IP(EA), eV:	-8.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(C(C2CC2)O)O)C

DOS

IR

Vibrations