Geometry & MOs

Info

ID:	438269
PubChem CID:	135227997
Reduced:	FNC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	2.68
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(dipyridin-2-ylmethyl)-5-[2-methyl-1-[methyl-(methylideneamino)amino]prop-1-enyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CCC(C)/C(=C(\C=C/C=C)/F)/C(C1=C(C=CC=N1)F)N

DOS

IR

Vibrations