Geometry & MOs

Info

ID:	397743
PubChem CID:	135030658
Reduced:	O3H20C22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	260.120115
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	4.39
IP(EA), eV:	-9.43(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S,10S)-10-phenyltetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-triene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1C2[C@@H](C3C1C3(C4=CC=CC=C24)C(=O)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations