Geometry & MOs

Info

ID:	163950
PubChem CID:	74381038
Reduced:	FN4O4C24H35 (1)
Stoich.:	AB4C4D24E35 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	3.93
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-phenylchromen-2-one

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1=C(C=C(C=C1)OCCCC2CCN(CC2)C3=NOC(=N3)C(C)(C)C)F

DOS

IR

Vibrations