Geometry & MOs

Info

ID:	238373
PubChem CID:	92740994
Reduced:	ClO2N4C24H33 (1)
Stoich.:	AB2C4D24E33 (1)
Weight, g/mol:	444.229204
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	0.55
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCCC(C)C)C(C)(C)C

DOS

IR

Vibrations