Geometry & MOs

Info

ID:	314571
PubChem CID:	126622219
Reduced:	IN4O4C27H29 (1)
Stoich.:	AB4C4D27E29 (1)
Weight, g/mol:	315.173548
ΔH_f, kcal/mol:	-53.61
Dipole, Da:	4.52
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-3-pentylquinolin-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=NN3CC(=O)OC(C)(C)C)I)OCCOCC4=CC=CC=C4

DOS

IR

Vibrations