Geometry & MOs

Info

ID:	383396
PubChem CID:	134975093
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	2.28
IP(EA), eV:	-8.8(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-7-(5-hydroxypentyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC[C@H]2CCCN[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations