Geometry & MOs

Info

ID:	342610
PubChem CID:	127265770
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	4.43
IP(EA), eV:	-8.97(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3,5-dimethyl-4-(2-pyridazin-4-ylethenyl)pyrazol-1-yl]acetate

Drug info:

PubChemData

Smile

C1CCN(C(C1)CO)CCC(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations