Geometry & MOs

Info

ID:	431283
PubChem CID:	135171354
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	443.218447
ΔH_f, kcal/mol:	83.37
Dipole, Da:	6.28
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC=CC(=C3)C#N)C(=O)NC4C5CC4C5

DOS

IR

Vibrations