Geometry & MOs

Info

ID:	420741
PubChem CID:	135114747
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	42.36
Dipole, Da:	3.48
IP(EA), eV:	-8.5(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NC(C)CC2=CSC=C2)N

DOS

IR

Vibrations