Geometry & MOs

Info

ID:	375388
PubChem CID:	131500173
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	280.00228
ΔH_f, kcal/mol:	12.11
Dipole, Da:	8.46
IP(EA), eV:	-8.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(4-amino-3-bromophenyl)-2,2-difluoropropan-1-ol

Drug info:

PubChemData

Smile

C1CC(C1)C2=C(C=C(C(=O)N2)C#N)N

DOS

IR

Vibrations