Geometry & MOs

Info

ID:	372589
PubChem CID:	131300408
Reduced:	ClF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	211.095691
ΔH_f, kcal/mol:	-209.89
Dipole, Da:	2.39
IP(EA), eV:	-10.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(4-methyl-5-nitropyridin-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C(F)(F)F)F)CCl

DOS

IR

Vibrations