Geometry & MOs

Info

ID:	420331
PubChem CID:	135112519
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-136.55
Dipole, Da:	2.12
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(3-phenoxypropyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NC(CO)CO

DOS

IR

Vibrations