Geometry & MOs

Info

ID:	311555
PubChem CID:	126593799
Reduced:	FN3O3C29H32 (1)
Stoich.:	AB3C3D29E32 (1)
Weight, g/mol:	371.199762
ΔH_f, kcal/mol:	-134.26
Dipole, Da:	2.92
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexen-1-yl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C3=CCN(CC3)C(=O)OC(C)(C)C)C)C(=CC(=N2)C(=O)NC)C4=CC=CC=C4F

DOS

IR

Vibrations