Geometry & MOs

Info

ID:	158953
PubChem CID:	57244290
Reduced:	O2F3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-226.37
Dipole, Da:	4.9
IP(EA), eV:	-10.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6aR,9S)-7-ethyl-5-(morpholin-4-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC1(C(C1OC=O)C=CC(F)(F)F)C

DOS

IR

Vibrations