Geometry & MOs

Info

ID:	238363
PubChem CID:	92740983
Reduced:	ClO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	1.5
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-tert-butyl-5-(2-ethylphenyl)-6-methyl-N-(3-methylbutyl)-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)N1C3=CC=CC=C3Cl)C

DOS

IR

Vibrations