Geometry & MOs

Info

ID:	238358
PubChem CID:	92740978
Reduced:	O2N4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-68.93
Dipole, Da:	5.68
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-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

CC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCCC(C)C)C(C)(C)C

DOS

IR

Vibrations