Geometry & MOs

Info

ID:	89696
PubChem CID:	49963848
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	1.79
IP(EA), eV:	-8.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

anthracen-9-yl-(2-ethylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations