Geometry & MOs

Info

ID:	52574
PubChem CID:	12015498
Reduced:	NO2C28H37 (1)
Stoich.:	AB2C28D37 (1)
Weight, g/mol:	311.224915
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	3.2
IP(EA), eV:	-8.83(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,12S,15R,17R)-8-ethenyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)C/C=C/COCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations