Geometry & MOs

Info

ID:	220894
PubChem CID:	85240279
Reduced:	SN5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	283.178358
ΔH_f, kcal/mol:	113.51
Dipole, Da:	3.08
IP(EA), eV:	-8.46(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-acetyloxy-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)acetate

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=NNC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations