Geometry & MOs

Info

ID:	387569
PubChem CID:	134985894
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	3.11
IP(EA), eV:	-8.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenoxy)-2-methoxy-3-methylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1C)C[C@@H](C(=O)O)N)O

DOS

IR

Vibrations