Geometry & MOs

Info

ID:	187790
PubChem CID:	77624135
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	494.266839
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	6.97
IP(EA), eV:	-8.94(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-[1-[4-hydroxy-2,6-bis(hydroxymethyl)phenyl]butyl]phenyl]butyl]-3,5-bis(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1C2CCCC(C2CN1)NC(=O)O

DOS

IR

Vibrations