Geometry & MOs

Info

ID:	224612
PubChem CID:	85345318
Reduced:	GaPC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	-359.89
Dipole, Da:	0.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.921397
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-6,9-dioxo-10,10a-dihydrophenanthridine-6a-carboxylate

Drug info:

PubChemData

Smile

C[Ga]C.C1=CC=C(C=C1)PC2=CC=CC=C2

DOS

IR

Vibrations