Geometry & MOs

Info

ID:	142411
PubChem CID:	53030555
Reduced:	FO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	494.196548
ΔH_f, kcal/mol:	-80.69
Dipole, Da:	3.26
IP(EA), eV:	-8.49(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4,5-dimethyl-7-oxo-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=CC(=N2)C3=CC=C(C=C3)OC)N1C)CCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations