Geometry & MOs

Info

ID:	149398
PubChem CID:	53789070
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	196.13872
ΔH_f, kcal/mol:	-77.1
Dipole, Da:	4.0
IP(EA), eV:	-9.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diamino-2,2-difluoro-6-methylheptan-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=C(OC(=C1)CC2=CC=CC=C2)C#N)Br

DOS

IR

Vibrations