Geometry & MOs

Info

ID:	310535
PubChem CID:	126581708
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	4.74
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(6S)-6-[(Z)-hex-2-enoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]-1,3-oxazocan-2-one

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)Br

DOS

IR

Vibrations