Geometry & MOs

Info

ID:	205434
PubChem CID:	80100592
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	312.032
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	2.16
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(=O)O)N(C=C2)CC3=CC=C(C=C3)O

DOS

IR

Vibrations