Geometry & MOs

Info

ID:	311134
PubChem CID:	126589575
Reduced:	BrN2O3C20H35 (1)
Stoich.:	AB2C3D20E35 (1)
Weight, g/mol:	177.095378
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	1.95
IP(EA), eV:	-8.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-methyl-6,7-dihydro-5H-naphthalen-1-imine

Drug info:

PubChemData

Smile

CC/C(=C(\C(=C(\C)/NOC)\Br)/N1CCC(CC1)(C)C)/CC(=O)OC(C)C

DOS

IR

Vibrations