Geometry & MOs

Info

ID:	419094
PubChem CID:	135107464
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-23.19
Dipole, Da:	8.18
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4C[C@H]([C@@H](C4)O)CC5=NC=CN=C5

DOS

IR

Vibrations