Geometry & MOs

Info

ID:	422687
PubChem CID:	135118248
Reduced:	FO4N6C26H29 (1)
Stoich.:	AB4C6D26E29 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	4.12
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[(4-pyridin-2-ylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=CC(=CC(=C3)F)O2)C4=NC(=NC=C4)N

DOS

IR

Vibrations