Geometry & MOs

Info

ID:	83493
PubChem CID:	49857657
Reduced:	BrN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	57.64
Dipole, Da:	4.18
IP(EA), eV:	-8.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-oxo-2-[(2S)-4-oxopentan-2-yl]-3,4-dihydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)CC2=CNC3=C2C=C(C=C3)Br

DOS

IR

Vibrations