Geometry & MOs

Info

ID:	238348
PubChem CID:	92740967
Reduced:	O3N4C28H34 (1)
Stoich.:	A3B4C28D34 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-61.76
Dipole, Da:	3.44
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2C(=O)C3=CC(=NN3C[C@]2(C)C(=O)NCC4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations