Geometry & MOs

Info

ID:	238376
PubChem CID:	92740997
Reduced:	N4O4C29H36 (1)
Stoich.:	A4B4C29D36 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-101.53
Dipole, Da:	3.45
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-(furan-2-yl)-6-methyl-N-(3-methylbutyl)-5-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN3C[C@@](N(C(=O)C3=C2)CC4=CC=C(C=C4)OC)(C)C(=O)NCCC(C)C

DOS

IR

Vibrations