Geometry & MOs

Info

ID:	403432
PubChem CID:	135060261
Reduced:	BrN2H19C25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	105.22
Dipole, Da:	6.66
IP(EA), eV:	-8.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-phenylmethoxyhexane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC3=C2N(C4=CC=CC=C43)C)C5=CC=C(C=C5)Br

DOS

IR

Vibrations