Geometry & MOs

Info

ID:	238346
PubChem CID:	92740965
Reduced:	O3N4C28H34 (1)
Stoich.:	A3B4C28D34 (1)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	3.48
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N-benzyl-2-tert-butyl-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCC4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations