Geometry & MOs

Info

ID:	238356
PubChem CID:	92740976
Reduced:	ClO2N4C24H33 (1)
Stoich.:	AB2C4D24E33 (1)
Weight, g/mol:	444.229204
ΔH_f, kcal/mol:	-70.29
Dipole, Da:	0.55
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-tert-butyl-5-[(2-chlorophenyl)methyl]-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)N1CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations