Geometry & MOs

Info

ID:	13574
PubChem CID:	301184
Reduced:	OC15H16 (1)
Stoich.:	AB15C16 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	13.18
Dipole, Da:	3.34
IP(EA), eV:	-9.68(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1(CC2CC1C=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations