Geometry & MOs

Info

ID:	21746
PubChem CID:	589746
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	73.17
Dipole, Da:	3.54
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C#N)N2CCC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations