Geometry & MOs

Info

ID:	121198
PubChem CID:	50758333
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	6.01
IP(EA), eV:	-9.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclohexylcarbamoyl)-7-(3-methoxyphenyl)-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CN2C=NC(=C2C(=O)N1C3CC3)C(=O)OC)C(=O)NC4CCCC4

DOS

IR

Vibrations