Geometry & MOs

Info

ID:	169813
PubChem CID:	75154220
Reduced:	O2F3N3C24H32 (1)
Stoich.:	A2B3C3D24E32 (1)
Weight, g/mol:	411.288577
ΔH_f, kcal/mol:	-241.44
Dipole, Da:	4.7
IP(EA), eV:	-8.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

CC1CCCN1C2CCN(C2)C3=CC(=C(C=C3)N4CCC5(C4=O)CCOCC5)C(F)(F)F

DOS

IR

Vibrations