Geometry & MOs

Info

ID:	121731
PubChem CID:	50779235
Reduced:	FON4H21C27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	388.169939
ΔH_f, kcal/mol:	48.36
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-propan-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations