Geometry & MOs

Info

ID:	170301
PubChem CID:	75215238
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	527.288303
ΔH_f, kcal/mol:	-64.25
Dipole, Da:	5.34
IP(EA), eV:	-9.24(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[2-(naphthalen-1-ylmethoxy)ethoxy]hexylamino]ethyl]phenol

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C(=O)C1=O)C3(CCCC(C3C=C2)(C)C)C

DOS

IR

Vibrations