Geometry & MOs

Info

ID:	15485
PubChem CID:	442487
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-126.28
Dipole, Da:	4.35
IP(EA), eV:	-8.53(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(8R,9S,13S)-8-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-3,5-dien-13-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C[C@@]12[C@@H]3CCCN1CC=CC2=CC[C@H]3O)C(=O)OC

DOS

IR

Vibrations