Geometry & MOs

Info

ID:	251769
PubChem CID:	103106805
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	2.16
IP(EA), eV:	-10.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(=O)NC(C)(C)C)C2CC2

DOS

IR

Vibrations