Geometry & MOs

Info

ID:	281230
PubChem CID:	103911540
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	0.89
IP(EA), eV:	-9.23(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[cyclopropyl(phenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC1CCC2=C1C=CC=C2Br)O

DOS

IR

Vibrations