Geometry & MOs

Info

ID:	430948
PubChem CID:	135171018
Reduced:	ON5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	429.202797
ΔH_f, kcal/mol:	69.61
Dipole, Da:	6.48
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(benzylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC/C(=C/C)/C=C\C(=NC)C=C)C(=O)C2=NC(=C)C(=C2)NC=C

DOS

IR

Vibrations