Geometry & MOs

Info

ID:	7214
PubChem CID:	71550
Reduced:	SN2O6C20H32 (1)
Stoich.:	AB2C6D20E32 (1)
Weight, g/mol:	428.198108
ΔH_f, kcal/mol:	-226.12
Dipole, Da:	4.98
IP(EA), eV:	-8.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)ethyl]phenol;sulfuric acid

Drug info:

PubChemData

Smile

CN(C)CCC1=CC=C(C=C1)O.CN(C)CCC1=CC=C(C=C1)O.OS(=O)(=O)O

DOS

IR

Vibrations