Geometry & MOs

Info

ID:	297992
PubChem CID:	117645007
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	4.52
IP(EA), eV:	-9.25(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-1-[(5-chloropyridin-2-yl)methyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=NC=C2)O)C.Cl

DOS

IR

Vibrations