Geometry & MOs

Info

ID:	390948
PubChem CID:	135001732
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	286.095357
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	3.75
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C/C2=C(C=C(C=C2)OC)OC)C

DOS

IR

Vibrations