Geometry & MOs

Info

ID:	371763
PubChem CID:	131271576
Reduced:	ClOBr2H7C8 (1)
Stoich.:	ABC2D7E8 (1)
Weight, g/mol:	235.057548
ΔH_f, kcal/mol:	-23.72
Dipole, Da:	3.6
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(2-chloro-4,5-difluorophenyl)butan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)Cl)CBr

DOS

IR

Vibrations