Geometry & MOs

Info

ID:	79900
PubChem CID:	49831132
Reduced:	ON7H19C22 (1)
Stoich.:	AB7C19D22 (1)
Weight, g/mol:	706.021132
ΔH_f, kcal/mol:	84.95
Dipole, Da:	2.67
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imino-2-methoxy-2-phenylchromen-4-one;ruthenium(2+);dichloride

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=C(C(=O)N12)C3=CC=CC=C3)[C@H](C)NC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations