Geometry & MOs

Info

ID:	220842
PubChem CID:	85240163
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-118.53
Dipole, Da:	3.78
IP(EA), eV:	-9.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-phenylethylimino)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one

Drug info:

PubChemData

Smile

CCCCC1CC1(CO)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations