Geometry & MOs

Info

ID:	164775
PubChem CID:	74451128
Reduced:	F3N3O3H26C27 (1)
Stoich.:	A3B3C3D26E27 (1)
Weight, g/mol:	483.213362
ΔH_f, kcal/mol:	-182.68
Dipole, Da:	4.44
IP(EA), eV:	-8.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C3N1C(CC(C3)NCC#C)C4=CC=C(C=C4)OC(F)(F)F)NC5=CC=CC=C25

DOS

IR

Vibrations