Geometry & MOs

Info

ID:	85480
PubChem CID:	49875723
Reduced:	Br2O3N4H26C29 (1)
Stoich.:	A2B3C4D26E29 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	16.16
Dipole, Da:	7.8
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=C(C(=C3)Br)O)Br)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations