Geometry & MOs

Info

ID:	373601
PubChem CID:	131317737
Reduced:	NF2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	314.94733
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	2.96
IP(EA), eV:	-9.04(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-bromo-4-chlorophenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2CCCCN2)C(F)F

DOS

IR

Vibrations