Geometry & MOs

Info

ID:	181322
PubChem CID:	76730977
Reduced:	N3O5C32H33 (1)
Stoich.:	A3B5C32D33 (1)
Weight, g/mol:	496.239349
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	1.36
IP(EA), eV:	-9.11(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-3-methyl-3-[(4-phenylphenyl)methoxy]-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]butan-2-one

Drug info:

PubChemData

Smile

CC1(C(N(C(=O)O1)C(=O)C(C)(C(C2=NC=CN2C)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations