Geometry & MOs

Info

ID:	121193
PubChem CID:	50758319
Reduced:	ClN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	468.23727
ΔH_f, kcal/mol:	-127.59
Dipole, Da:	4.19
IP(EA), eV:	-9.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopentylcarbamoyl)-6-methyl-8-oxo-7-[(4-propan-2-yloxyphenyl)methyl]-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CN2C=NC(=C2C(=O)N1CC3=CC=C(C=C3)Cl)C(=O)OC)C(=O)NC4CCCC4

DOS

IR

Vibrations