Geometry & MOs

Info

ID:	374442
PubChem CID:	131329523
Reduced:	ClIN2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	5.4
IP(EA), eV:	-9.98(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(4,5-difluoro-2-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C[C@](CC(=O)O)(C1=CN=C(C=C1I)Cl)N

DOS

IR

Vibrations