Geometry & MOs

Info

ID:	390864
PubChem CID:	135001327
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	3.42
IP(EA), eV:	-8.09(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C2CCCCC2)Cl)N

DOS

IR

Vibrations