Geometry & MOs

Info

ID:	132708
PubChem CID:	51404469
Reduced:	NCl2O6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	295.119501
ΔH_f, kcal/mol:	-248.38
Dipole, Da:	6.47
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(1R,6S,7S,9S)-7,8,8-tricyano-9-[(E)-prop-1-enyl]-10,11-dioxatricyclo[5.3.2.01,6]dodecan-12-ylidene]azanide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations