Geometry & MOs

Info

ID:	238374
PubChem CID:	92740995
Reduced:	ClO2N4C24H33 (1)
Stoich.:	AB2C4D24E33 (1)
Weight, g/mol:	504.273656
ΔH_f, kcal/mol:	-76.79
Dipole, Da:	2.21
IP(EA), eV:	-9.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=O)C3=CC(=NN3C[C@@]2(C)C(=O)NCCC(C)C)C(C)(C)C

DOS

IR

Vibrations