Geometry & MOs

Info

ID:	121124
PubChem CID:	50756648
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	498.206719
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	2.9
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NCC3=CC=CC=C3OC)C4=CC=CC=C4

DOS

IR

Vibrations