Geometry & MOs

Info

ID:	30355
PubChem CID:	841185
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	4.43
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NN([C@@](C1)(C2=CN=CC=C2)O)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations