Geometry & MOs

Info

ID:	20668
PubChem CID:	585088
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	3.3
IP(EA), eV:	-9.01(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-ethyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC1=NN(C(C1)(C2=CC=C(C=C2)C)O)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations