Geometry & MOs

Info

ID:	381105
PubChem CID:	134971748
Reduced:	O8C24H31 (1)
Stoich.:	A8B24C31 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	1.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.763032
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-3,5-diethyl-3,5-diphenyl-4H-pyrazol-4-ol

Drug info:

PubChemData

Smile

C1COCCOC2=CC=CC=C2OCCO[CH+]COCCOC3=CC=CC=C3OCCO1

DOS

IR

Vibrations