Geometry & MOs

Info

ID:	85670
PubChem CID:	49877931
Reduced:	BrO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	355.213401
ΔH_f, kcal/mol:	8.09
Dipole, Da:	6.04
IP(EA), eV:	-8.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-dimethyl-[3-[[(2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carbonyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NN/C=C\2/C=C(C=CC2=O)Br)C

DOS

IR

Vibrations