Geometry & MOs

Info

ID:	325709
PubChem CID:	126684587
Reduced:	ClIN3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	84.62
Dipole, Da:	3.81
IP(EA), eV:	-8.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-methyl-3-[3-(N'-methylcarbamimidoyl)-4-(methylideneamino)phenyl]benzamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1I)Cl)C(=N)N=C

DOS

IR

Vibrations