Geometry & MOs

Info

ID:	442659
PubChem CID:	135254061
Reduced:	BrON2C24H29 (1)
Stoich.:	ABC2D24E29 (1)
Weight, g/mol:	112.063663
ΔH_f, kcal/mol:	28.0
Dipole, Da:	3.33
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitroso-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

CC(=NC1=CC=CC=CC1C(=C)C(C2CCCCN2)O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations