Geometry & MOs

Info

ID:	322048
PubChem CID:	126668411
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-114.61
Dipole, Da:	7.14
IP(EA), eV:	-9.16(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-7-[hydroxy(phenyl)methoxy]-9-azatricyclo[3.3.1.02,4]nonane-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)NCC1=CC(=CC=C1)CNC(=O)CCCCC(=O)C(C)(C)C

DOS

IR

Vibrations