Geometry & MOs

Info

ID:	293956
PubChem CID:	117420110
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-99.05
Dipole, Da:	5.3
IP(EA), eV:	-8.47(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[3-[(dimethylamino)methyl]-2-hydroxy-4-methylphenyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)CCN2CCNCC2)O

DOS

IR

Vibrations