Geometry & MOs

Info

ID:	164774
PubChem CID:	74451043
Reduced:	SO2N5C26H35 (1)
Stoich.:	AB2C5D26E35 (1)
Weight, g/mol:	497.192626
ΔH_f, kcal/mol:	-36.38
Dipole, Da:	7.19
IP(EA), eV:	-8.45(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(prop-2-ynylamino)-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

Drug info:

PubChemData

Smile

C1CN2CC(C1CC2CNC(=S)NCC3=CC=CO3)CN4CC5CC(C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations