Geometry & MOs

Info

ID:	396134
PubChem CID:	135027518
Reduced:	NCl3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	379.050877
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	2.65
IP(EA), eV:	-9.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethenyl-8-methyl-3-(trichloromethyl)-2-oxa-4-azabicyclo[3.3.1]nona-3,7-diene

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2C[C@@]3(CO3)C=C[C@]2(C=C)NC(=O)C(Cl)(Cl)Cl)C

DOS

IR

Vibrations