Geometry & MOs

Info

ID:	142740
PubChem CID:	53083533
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	427.201968
ΔH_f, kcal/mol:	9.46
Dipole, Da:	3.99
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C2=NN=C(C=C2)N3CCOCC3)N4C=CC=N4

DOS

IR

Vibrations