Geometry & MOs

Info

ID:	266166
PubChem CID:	103558666
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	32.79
Dipole, Da:	6.57
IP(EA), eV:	-9.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methoxycyclobutyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations