Geometry & MOs

Info

ID:	438323
PubChem CID:	135228056
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	9.68
Dipole, Da:	2.77
IP(EA), eV:	-8.68(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2,3-dimethyl-1-[methyl-(methylideneamino)amino]but-1-enyl]-N-[(5-methylpyridin-2-yl)-phenylmethyl]-2-nitroaniline

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CC=CC=C1N=CC)\C(C)(C)C)/C

DOS

IR

Vibrations