Geometry & MOs

Info

ID:	238924
PubChem CID:	93165734
Reduced:	SN2O4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-202.57
Dipole, Da:	4.32
IP(EA), eV:	-8.74(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-amino-1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)CCC(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations