Geometry & MOs

Info

ID:	124961
PubChem CID:	50905314
Reduced:	F2N2O3C28H29 (1)
Stoich.:	A2B2C3D28E29 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753926
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-10-[2-(3-phenylpyrrolidin-1-yl)ethyl]benzo[g]pteridine-2,4-dione

Drug info:

PubChemData

Smile

C[N+]1(CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCOC(=O)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations