Geometry & MOs

Info

ID:	187622
PubChem CID:	77598542
Reduced:	FISO2N4C21H24 (1)
Stoich.:	ABCD2E4F21G24 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	2.55
IP(EA), eV:	-8.82(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)NC1)SC(=C2C(=O)N3CCC(C3)N)NC4=C(C=C(C=C4)I)F)C

DOS

IR

Vibrations