Geometry & MOs

Info

ID:	404131
PubChem CID:	135065105
Reduced:	N2O2C29H38 (1)
Stoich.:	A2B2C29D38 (1)
Weight, g/mol:	354.136828
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	5.16
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diphenyl-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=C(C(=NN1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations