Geometry & MOs

Info

ID:	396797
PubChem CID:	135029235
Reduced:	ClNOH24C30 (1)
Stoich.:	ABCD24E30 (1)
Weight, g/mol:	409.240565
ΔH_f, kcal/mol:	52.91
Dipole, Da:	0.79
IP(EA), eV:	-8.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(2R,3S,4S)-4-pentyl-3-phenyl-3,4-dihydro-2H-chromen-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)[C@H]3[C@@H]([C@@H](C4=CC=CC=C4O3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations