Geometry & MOs

Info

ID:	320719
PubChem CID:	126663093
Reduced:	O4N5C33H37 (1)
Stoich.:	A4B5C33D37 (1)
Weight, g/mol:	503.314792
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	3.5
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[[4-methylidene-8-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)CN2CN(C3(C2=O)CCN(CC3)CCCN4C5=CC=CC=C5NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations