Geometry & MOs

Info

ID:	251679
PubChem CID:	103105924
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	281.097583
ΔH_f, kcal/mol:	-124.76
Dipole, Da:	2.99
IP(EA), eV:	-9.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3,5-difluorophenyl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)N2CCOCC2)C(=O)OC

DOS

IR

Vibrations