Geometry & MOs

Info

ID:	423258
PubChem CID:	135119197
Reduced:	FN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	371.209658
ΔH_f, kcal/mol:	-97.03
Dipole, Da:	6.14
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-3-(3-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

COCC1CCN(C1)CC2=CC(=O)C3=C(N2)C(=CC=C3)F

DOS

IR

Vibrations