Geometry & MOs

Info

ID:	238344
PubChem CID:	92740963
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCC4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations