Geometry & MOs

Info

ID:	382715
PubChem CID:	134974034
Reduced:	O3N4H17C18 (2)
Stoich.:	A3B4C17D18 (2)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	3.17
IP(EA), eV:	-8.64(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-methoxyethyl)-7-methyl-2,4-dioxo-3-phenylbenzo[g]pteridine-8-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C4=CC=C(C=C4)N5C(=O)C6=NC7=C(C=C(C(=C7)C)C)N(C6=NC5=O)CCOC)CCOC

DOS

IR

Vibrations