Geometry & MOs

Info

ID:	395008
PubChem CID:	135024417
Reduced:	H9C11 (2)
Stoich.:	A9B11 (2)
Weight, g/mol:	384.151415
ΔH_f, kcal/mol:	77.88
Dipole, Da:	0.08
IP(EA), eV:	-7.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,8R,15S)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=C1)C4=C5C(=CC(=CC5=C3C=C2C)C)C(=C4)C

DOS

IR

Vibrations