Geometry & MOs

Info

ID:	122064
PubChem CID:	50792453
Reduced:	O3N6C23H32 (1)
Stoich.:	A3B6C23D32 (1)
Weight, g/mol:	457.248918
ΔH_f, kcal/mol:	-89.41
Dipole, Da:	6.07
IP(EA), eV:	-9.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-fluorophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=CN2CC1(C)C(=O)NCCC(C)C)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations