Geometry & MOs

Info

ID:	418802
PubChem CID:	135106827
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	421.240565
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenylmethyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C(=O)C3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations