Geometry & MOs

Info

ID:	402360
PubChem CID:	135055670
Reduced:	BrNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	3.72
IP(EA), eV:	-8.45(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1,3-dioxoisoindol-2-yl)-4-methylcyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CC2CN(C1CC2=O)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations