Geometry & MOs

Info

ID:	220051
PubChem CID:	85165187
Reduced:	O6C39H76 (1)
Stoich.:	A6B39C76 (1)
Weight, g/mol:	640.234015
ΔH_f, kcal/mol:	-416.5
Dipole, Da:	3.63
IP(EA), eV:	-10.18(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(6-chloro-2-phenyl-1H-indol-3-yl)-3-(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC1C(C2C(C(O1)CO)OC(O2)(C)C)O

DOS

IR

Vibrations