Geometry & MOs

Info

ID:	305750
PubChem CID:	124967898
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	343.205991
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	5.25
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(3-fluorophenyl)methyl]-8-[(1-methylimidazol-2-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCCC1=NN(C(=C1)C(=O)N2CCC[C@@H](C2)C3=NC=C(O3)CC4=CC=CC=C4)C

DOS

IR

Vibrations