Geometry & MOs

Info

ID:	404932
PubChem CID:	135071825
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	4.68
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,N-dimethyl-3-[(1S,2R,6R)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C(=O)N(C)C1=CC=C(C=C1)C)Br

DOS

IR

Vibrations