Geometry & MOs

Info

ID:	223941
PubChem CID:	85336161
Reduced:	NO4C22H33 (1)
Stoich.:	AB4C22D33 (1)
Weight, g/mol:	376.064647
ΔH_f, kcal/mol:	-207.39
Dipole, Da:	1.32
IP(EA), eV:	-9.61(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-oxo-3-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-9aH-pyrrolo[3,2-f]quinoline-1-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC(=O)C(CO)N)C

DOS

IR

Vibrations