Geometry & MOs

Info

ID:	138205
PubChem CID:	52327670
Reduced:	ON5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	97.36
Dipole, Da:	3.71
IP(EA), eV:	-9.18(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-pyridin-4-ylazepan-1-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations