Geometry & MOs

Info

ID:	238353
PubChem CID:	92740973
Reduced:	ON2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	6.81
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-tert-butyl-5-[(2-methoxyphenyl)methyl]-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCC4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations