Geometry & MOs

Info

ID:	416449
PubChem CID:	135089462
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	-43.15
Dipole, Da:	7.79
IP(EA), eV:	-8.41(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)CN3CCN(CC3)CC(=O)O

DOS

IR

Vibrations