Geometry & MOs

Info

ID:	218395
PubChem CID:	85089280
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	455.127934
ΔH_f, kcal/mol:	-204.46
Dipole, Da:	4.56
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3,4-difluorophenyl)methyl]-N-[(2-methoxypyridin-4-yl)methyl]-3-methyl-2,6-dioxopurin-3-ium-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=CC=C2)NC(C)C(=O)O)O

DOS

IR

Vibrations