Geometry & MOs

Info

ID:	122101
PubChem CID:	50794278
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	460.211055
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	3.97
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2,4-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCN(C2=O)CC3=CC=C(C=C3)F)C(=O)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations