Geometry & MOs

Info

ID:	121209
PubChem CID:	50758880
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	458.172083
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	6.84
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-chloro-2-methylphenyl)-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC=CC=C3C)(C)C(=O)NC4CCCC4

DOS

IR

Vibrations