Geometry & MOs

Info

ID:	327541
PubChem CID:	126690293
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	441.218305
ΔH_f, kcal/mol:	-112.13
Dipole, Da:	2.95
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-[2-(2-chloro-3,5-dimethoxyphenyl)ethynyl]-6-methyl-5-methylideneoct-2-en-4-ylidene]-N'-[(cyclopropylamino)methyl]methanimidamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC(O1)CO)OCC2=CC=CC=C2

DOS

IR

Vibrations