Geometry & MOs

Info

ID:	383273
PubChem CID:	134974901
Reduced:	N2O2C23H38 (1)
Stoich.:	A2B2C23D38 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	2.14
IP(EA), eV:	-7.98(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-phenyl-2-[(5S)-7-(5-phenylmethoxypentyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanol

Drug info:

PubChemData

Smile

CC[C@@H](CN1C[C@H]2CC(C1)CN(C2)CCCCCOCC3=CC=CC=C3)O

DOS

IR

Vibrations