Geometry & MOs

Info

ID:	415795
PubChem CID:	135088796
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	311.14522
ΔH_f, kcal/mol:	-68.32
Dipole, Da:	3.18
IP(EA), eV:	-8.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(4-chloro-2-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N(CCO)CC2=NC=CN2)C

DOS

IR

Vibrations