Geometry & MOs

Info

ID:	125791
PubChem CID:	50938743
Reduced:	Cl2N2O8C35H44 (1)
Stoich.:	A2B2C8D35E44 (1)
Weight, g/mol:	327.125073
ΔH_f, kcal/mol:	-345.77
Dipole, Da:	6.6
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[amino-(phenanthren-9-ylamino)methylidene]-2-methylguanidine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C\CC(OC(=O)[C@H](OC1=O)CC(C)C)[C@H](C)C([C@H](C2=CC=CC=C2)Cl)O)CC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations