Geometry & MOs

Info

ID:	426112
PubChem CID:	135139190
Reduced:	ClC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	426.180424
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	2.28
IP(EA), eV:	-9.04(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)C)C(C)C

DOS

IR

Vibrations