Geometry & MOs

Info

ID:	266164
PubChem CID:	103558610
Reduced:	IN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	2.75
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=C(C(=NO2)N)I

DOS

IR

Vibrations