Geometry & MOs

Info

ID:	251577
PubChem CID:	103104999
Reduced:	N3O4C9H15 (1)
Stoich.:	A3B4C9D15 (1)
Weight, g/mol:	297.099252
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	4.11
IP(EA), eV:	-10.47(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(CO)O)C

DOS

IR

Vibrations