Geometry & MOs

Info

ID:	262435
PubChem CID:	103292986
Reduced:	BrClNO3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	305.081871
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	6.01
IP(EA), eV:	-8.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNCC(C(=O)OC)Br

DOS

IR

Vibrations