Geometry & MOs

Info

ID:	302578
PubChem CID:	124385160
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	277.086956
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	3.24
IP(EA), eV:	-8.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-3-[(R)-(4-chlorophenyl)-hydroxymethyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C2[C@H](CNCCC2=CC(=C1O)O)C3=CC=C(C=C3)O

DOS

IR

Vibrations