Geometry & MOs

Info

ID:	193396
PubChem CID:	78388885
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	4.29
IP(EA), eV:	-8.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dioxo-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridin-7-yl)benzamide

Drug info:

PubChemData

Smile

CCCC1=CC(=C2C(CNC(N2)N)C3=CC4=C(C=C3)OCCCO4)C(=O)C=C1OC

DOS

IR

Vibrations