Geometry & MOs

Info

ID:	201589
PubChem CID:	79560133
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-27.29
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzoylcycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC1CCCCCN1CC2=NOC=N2

DOS

IR

Vibrations