Geometry & MOs

Info

ID:	430957
PubChem CID:	135171027
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	445.208945
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	3.37
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[(1R)-2,2,2-trifluoro-1-pyrimidin-5-ylethyl]amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CC(COC1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations