Geometry & MOs

Info

ID:	314584
PubChem CID:	126622305
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	1.62
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-pent-1-ynylquinolin-4-yl)pentanenitrile

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H](CC1=NC=C(C=C1)C2=CC(=CC=C2)O)N

DOS

IR

Vibrations