Geometry & MOs

Info

ID:	404136
PubChem CID:	135065114
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-9.98
Dipole, Da:	1.85
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(E)-2-(furan-2-yl)ethenyl]-3-phenylpyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=CC(=NN2C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations