Geometry & MOs

Info

ID:	371683
PubChem CID:	131270421
Reduced:	BrNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	211.095691
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	3.29
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(5-methyl-3-nitropyridin-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)C#N)Br)O

DOS

IR

Vibrations