Geometry & MOs

Info

ID:	373765
PubChem CID:	131319796
Reduced:	ClNOH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	227.107692
ΔH_f, kcal/mol:	0.79
Dipole, Da:	1.56
IP(EA), eV:	-9.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-amino-1-(3-chloro-2-methylphenyl)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=NC(=C2)CO)Cl

DOS

IR

Vibrations