Geometry & MOs

Info

ID:	316141
PubChem CID:	126630197
Reduced:	Cl3N4O6C20H33 (1)
Stoich.:	A3B4C6D20E33 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-316.78
Dipole, Da:	2.7
IP(EA), eV:	-9.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(aminomethyl)-1,3-dihydroinden-2-yl]pyridin-4-yl]-3-methanimidoylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(C)C(=O)N1CCCC(N1)C(=O)OCC(Cl)(Cl)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations