Geometry & MOs

Info

ID:	121213
PubChem CID:	50758884
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	479.28964
ΔH_f, kcal/mol:	-127.98
Dipole, Da:	7.32
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC=CC(=C3C)C)(C)C(=O)NCC4=CC=CC=C4OC

DOS

IR

Vibrations