Geometry & MOs

Info

ID:	375956
PubChem CID:	134221953
Reduced:	ClNO2F6H20C28 (1)
Stoich.:	ABC2D6E20F28 (1)
Weight, g/mol:	351.163457
ΔH_f, kcal/mol:	-339.14
Dipole, Da:	5.13
IP(EA), eV:	-9.49(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindole-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC(=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations