Geometry & MOs

Info

ID:	396796
PubChem CID:	135029234
Reduced:	O2N3H27C29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	449.154642
ΔH_f, kcal/mol:	0.03
Dipole, Da:	3.08
IP(EA), eV:	-8.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1NC4CCCCC4)C5=NC6=CC=CC=C6C=C5

DOS

IR

Vibrations