Geometry & MOs

Info

ID:	27172
PubChem CID:	818581
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	287.96334
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	2.22
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-4-formyl-2-methoxyphenoxy)acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations