Geometry & MOs

Info

ID:	315141
PubChem CID:	126624587
Reduced:	NOC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	552.353637
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.55
IP(EA), eV:	-9.29(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-(4-amino-5-cyano-2,6-dioxopyridin-3-ylidene)hydrazinyl]-N-(3-amino-2-ethylhexyl)-N-[2-(butylamino)butyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CCN(C=O)C(C)(C)C

DOS

IR

Vibrations