Geometry & MOs

Info

ID:	423335
PubChem CID:	135119326
Reduced:	F3O3N4C17H23 (1)
Stoich.:	A3B3C4D17E23 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-245.92
Dipole, Da:	5.2
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)C(F)(F)F

DOS

IR

Vibrations