Geometry & MOs

Info

ID:	29257
PubChem CID:	832638
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.92
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC(=O)NC2CCCCC2)Br

DOS

IR

Vibrations