Geometry & MOs

Info

ID:	256224
PubChem CID:	103137848
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-112.49
Dipole, Da:	3.74
IP(EA), eV:	-10.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=C(N=N2)C(=O)OCC(C)C)C

DOS

IR

Vibrations