Geometry & MOs

Info

ID:	245674
PubChem CID:	103022865
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-81.18
Dipole, Da:	4.45
IP(EA), eV:	-9.74(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-cyclopropyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1CO)CC(C)(C)OC

DOS

IR

Vibrations