Geometry & MOs

Info

ID:	325149
PubChem CID:	126681486
Reduced:	ON7C27H31 (1)
Stoich.:	AB7C27D31 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	106.54
Dipole, Da:	1.93
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-1-(4-methoxyphenyl)-3-methylpyrazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)C(C3=CN(N=C3)C)NCC4CC4)C5=CC=CC(=C5)CN

DOS

IR

Vibrations