Geometry & MOs

Info

ID:	308416
PubChem CID:	125327244
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	7.21
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(2S)-2,3-dihydrofuran-2-yl]-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC(=O)CC(=N2)CC(=O)OCC

DOS

IR

Vibrations