Geometry & MOs

Info

ID:	443320
PubChem CID:	135258560
Reduced:	ClON6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	182.069142
ΔH_f, kcal/mol:	72.52
Dipole, Da:	2.23
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-ethyl-5-formylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C=C(N/N=C\1/CCOC2=C1N=CC(=C2)Cl)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations