Geometry & MOs

Info

ID:	185557
PubChem CID:	77314141
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	365.140723
ΔH_f, kcal/mol:	-176.64
Dipole, Da:	6.88
IP(EA), eV:	-10.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(3-chlorophenyl)ethenylamino]pyrrol-3-ylidene]-N'-(2-pyridin-2-ylethyl)methanediamine

Drug info:

PubChemData

Smile

C1CC(C2C1C2COCOC(=O)C3=CC=CC=C3)(C(=O)O)N

DOS

IR

Vibrations