Geometry & MOs

Info

ID:	404621
PubChem CID:	135067955
Reduced:	ClN2O2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	452.10994
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	2.33
IP(EA), eV:	-9.34(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,8R)-8-bromo-1,2-bis(4-methoxyphenyl)-2,4,4a,7,8,8a-hexahydro-1H-imidazo[1,2-a]indole

Drug info:

PubChemData

Smile

C[C@]1(C2=CC=CC=C2C=C(C1=O)Cl)[C@H]3CCCC[C@H]3NC(=O)C4=CC=CC=N4

DOS

IR

Vibrations