Geometry & MOs

Info

ID:	179044
PubChem CID:	76426411
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	2.86
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethoxy)chromen-2-one

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)C(=O)N3CCC4(CC3)C(C(C5=CC=CC=C45)N)O

DOS

IR

Vibrations