Geometry & MOs

Info

ID:	184969
PubChem CID:	77236125
Reduced:	NaF2N3O5H19C20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-228.85
Dipole, Da:	10.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O.[Na]

DOS

IR

Vibrations