Geometry & MOs

Info

ID:	142517
PubChem CID:	53048476
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	484.193297
ΔH_f, kcal/mol:	-17.33
Dipole, Da:	6.54
IP(EA), eV:	-8.83(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=O)N(N=C2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations