Geometry & MOs

Info

ID:	256218
PubChem CID:	103137821
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.39
IP(EA), eV:	-8.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)N(CCOC)C1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations