Geometry & MOs

Info

ID:	324814
PubChem CID:	126678397
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-228.07
Dipole, Da:	3.4
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R,6S)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-7-azabicyclo[4.2.1]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations