Geometry & MOs

Info

ID:	121214
PubChem CID:	50758959
Reduced:	O3N5C27H37 (1)
Stoich.:	A3B5C27D37 (1)
Weight, g/mol:	481.268905
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	6.84
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-6-N-cyclopentyl-2-N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)NC4=C(C=CC=C4CC)C

DOS

IR

Vibrations