Geometry & MOs

Info

ID:	45762
PubChem CID:	10517384
Reduced:	NPO4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-212.63
Dipole, Da:	3.29
IP(EA), eV:	-9.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]phenol

Drug info:

PubChemData

Smile

CCOP(=O)([CH-][N+]#CC(=O)C1CCCCC1)OCC

DOS

IR

Vibrations