Geometry & MOs

Info

ID:	238366
PubChem CID:	92740986
Reduced:	FO2N4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	414.243104
ΔH_f, kcal/mol:	-103.91
Dipole, Da:	2.55
IP(EA), eV:	-9.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-tert-butyl-5-(4-fluorophenyl)-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=C(C=C3)F)C

DOS

IR

Vibrations