Geometry & MOs

Info

ID:	238357
PubChem CID:	92740977
Reduced:	ClO2N4C24H33 (1)
Stoich.:	AB2C4D24E33 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-71.93
Dipole, Da:	2.73
IP(EA), eV:	-9.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C(=CC(=N2)C(C)(C)C)C(=O)N1CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations