Geometry & MOs

Info

ID:	438167
PubChem CID:	135227795
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	17.86
Dipole, Da:	6.37
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CN=C(C=C2N1C(C3CCOCC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations