Geometry & MOs

Info

ID:	15423
PubChem CID:	441206
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	2.61
Dipole, Da:	6.42
IP(EA), eV:	-9.42(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-5,9-dien-17-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5C(C[C@]34C)C=NO5

DOS

IR

Vibrations