Geometry & MOs

Info

ID:	51765
PubChem CID:	12014500
Reduced:	O3H17C19 (2)
Stoich.:	A3B17C19 (2)
Weight, g/mol:	438.204239
ΔH_f, kcal/mol:	34.74
Dipole, Da:	0.64
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-[[2,6-bis(hydroxymethyl)-4-methylphenoxy]methyl]phenyl]methoxy]-3-(hydroxymethyl)-5-methylphenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)COCC#CC#CCOCC4=CC(=CC(=C4OCC5=CC=C(CO3)C=C5)COCC#CC#CCOC2)C

DOS

IR

Vibrations