Geometry & MOs

Info

ID:	121192
PubChem CID:	50758297
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	444.156433
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	6.04
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(4-chlorophenyl)methyl]-6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)C3=C(N=CN3CC2(C)C(=O)NC4CCCC4)C(=O)OC

DOS

IR

Vibrations