Geometry & MOs

Info

ID:	407551
PubChem CID:	135080298
Reduced:	O3N5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	4.69
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-3-yl)-1-(4-methoxyphenyl)pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=[N+](N1NC(=O)N)[O-])C)C(=O)N(C)C

DOS

IR

Vibrations