Geometry & MOs

Info

ID:	312706
PubChem CID:	126607523
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	529.253648
ΔH_f, kcal/mol:	16.08
Dipole, Da:	3.58
IP(EA), eV:	-8.11(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(2-amino-3-nitro-6-prop-2-enoxypyridin-4-yl)-[ethoxy(hydroxy)methyl]amino]methyl]phenyl]-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CN1CNC=C1CCCCC(=O)N2CCC3C(=CNC(=N3)NC4CC5=CC=CC=C5C4)C2

DOS

IR

Vibrations