Geometry & MOs

Info

ID:	89733
PubChem CID:	49964158
Reduced:	BN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	4.36
IP(EA), eV:	-9.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-2-phenylethyl)-2,6-dimethylhepta-1,6-dien-4-ol

Drug info:

PubChemData

Smile

B(C1=NC2=CC=CC=C2N1C)(O)O

DOS

IR

Vibrations