Geometry & MOs

Info

ID:	252837
PubChem CID:	103114486
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	325.0062
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	4.05
IP(EA), eV:	-10.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1-[(5-bromofuran-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)NCC(C)C)C(=O)OCC=C

DOS

IR

Vibrations