Geometry & MOs

Info

ID:	443625
PubChem CID:	135259578
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	448.308979
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	4.75
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-4-propoxy-N-[2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(CCO2)(CCN[C@H]3[C@@H](CC4=CC=CC=C34)O)C5=CC=CC=N5

DOS

IR

Vibrations