Geometry & MOs

Info

ID:	122102
PubChem CID:	50794405
Reduced:	N2O2C13H14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	460.211055
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	6.95
IP(EA), eV:	-9.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2(CN3C=NC(=C3C(=O)N2C4=C(C=C(C=C4)C)C)C(=O)OC)C

DOS

IR

Vibrations