Geometry & MOs

Info

ID:	155899
PubChem CID:	56368206
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-159.01
Dipole, Da:	9.53
IP(EA), eV:	-8.71(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)/C=C(/C#N)\C(=O)NCC(C2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations