Geometry & MOs

Info

ID:	305927
PubChem CID:	124974783
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	401.167018
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	8.67
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-[(5-chloropyridin-2-yl)methyl]-3-[(3-fluorophenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CCN(C2)C(=O)C3=C(ON=C3C)C)N(C)C

DOS

IR

Vibrations