Geometry & MOs

Info

ID:	420220
PubChem CID:	135111912
Reduced:	OF3N6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-129.91
Dipole, Da:	6.03
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-3-methyl-3-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CC(=N2)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4)C(F)(F)F

DOS

IR

Vibrations