Geometry & MOs

Info

ID:	122215
PubChem CID:	50798142
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	429.147727
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	2.89
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCN3CCOCC3)C4=CC=CC=N4

DOS

IR

Vibrations