Geometry & MOs

Info

ID:	400996
PubChem CID:	135049681
Reduced:	BOSF4C22H29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	315.02588
ΔH_f, kcal/mol:	-375.25
Dipole, Da:	21.73
IP(EA), eV:	-10.69(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-bromonaphthalen-2-yl)amino]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CC1([C@@H]2CC[C@]1(C(=O)C2)C3C4CCC(C4)[S+]3CC5=CC=CC=C5)C

DOS

IR

Vibrations