Geometry & MOs

Info

ID:	438480
PubChem CID:	135228222
Reduced:	FNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	321.220498
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	2.12
IP(EA), eV:	-9.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-butyl-1-imino-3-methylidenebenzo[de]isoquinolin-6-amine

Drug info:

PubChemData

Smile

CC(C)C1=N[C@H](CO1)C2=CC=C(C=C2)F

DOS

IR

Vibrations