Geometry & MOs

Info

ID:	271979
PubChem CID:	103707732
Reduced:	BrClNO2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-81.33
Dipole, Da:	1.84
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]hexan-1-ol

Drug info:

PubChemData

Smile

COCC(CCO)NCC1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations