Geometry & MOs

Info

ID:	121217
PubChem CID:	50758962
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-121.89
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclopentylcarbamoyl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCC4)C(=O)OC)C

DOS

IR

Vibrations