Geometry & MOs

Info

ID:	418218
PubChem CID:	135103887
Reduced:	SO6N9C35H49 (1)
Stoich.:	AB6C9D35E49 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-193.97
Dipole, Da:	9.42
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CN(C)C)C

DOS

IR

Vibrations