Geometry & MOs

Info

ID:	395620
PubChem CID:	135026030
Reduced:	N3F4O5H21C25 (1)
Stoich.:	A3B4C5D21E25 (1)
Weight, g/mol:	336.108562
ΔH_f, kcal/mol:	-337.92
Dipole, Da:	1.5
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(trifluoromethyl)pyrrolo[2,3-c]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1[C@]2(C3=C(C=CC(=C3)F)NC2=O)C(=C4NCCN4[C@@]1(C(F)(F)F)O)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations