Geometry & MOs

Info

ID:	407682
PubChem CID:	135080433
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	68.37
Dipole, Da:	1.92
IP(EA), eV:	-9.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(1R,6S)-7-bicyclo[4.1.0]heptanyl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C=CCOCC(C1=CC=CC=C1)N=[N+]=[N-]

DOS

IR

Vibrations