Geometry & MOs

Info

ID:	319477
PubChem CID:	126656198
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	53.86
Dipole, Da:	3.27
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-pent-1-ynylquinolin-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2N=C1N)CC3=CC=C(C=C3)CN

DOS

IR

Vibrations