Geometry & MOs

Info

ID:	159289
PubChem CID:	57269458
Reduced:	N2S2O3C22H24 (1)
Stoich.:	A2B2C3D22E24 (1)
Weight, g/mol:	502.225643
ΔH_f, kcal/mol:	-24.31
Dipole, Da:	5.69
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(4-methoxyphenyl)methyl]phenyl]-3-[3-(2-phenylethoxy)phenyl]pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CSC1(CCOC2=C1C=C(C=C2)C#CC(CCCC(=O)O)C3=NC=CC=N3)SC

DOS

IR

Vibrations