Geometry & MOs

Info

ID:	245473
PubChem CID:	99445124
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	388.169939
ΔH_f, kcal/mol:	6.39
Dipole, Da:	4.62
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC(=C1)C)C)C(=O)C2=CC(=NC3=C2C(=NN3C)C)C(C)C

DOS

IR

Vibrations