Geometry & MOs

Info

ID:	236891
PubChem CID:	92715483
Reduced:	FNO2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-218.97
Dipole, Da:	7.37
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-6-methyl-5-[(4-methylphenyl)methyl]-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@H]3CC(=O)N(C(=O)N3CCC2=C1)C4=C(C=C(C=C4)F)F)OCC

DOS

IR

Vibrations