Geometry & MOs

Info

ID:	442734
PubChem CID:	135256011
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	474.212787
ΔH_f, kcal/mol:	54.85
Dipole, Da:	3.3
IP(EA), eV:	-9.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-6-[2-[[6-(2-methoxyethoxymethyl)pyridin-2-yl]methylimino]ethanehydrazonoyl]pyrimidin-4-yl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)COC)N=[N+]=[N-]

DOS

IR

Vibrations