Geometry & MOs

Info

ID:	430751
PubChem CID:	135170818
Reduced:	OF3N3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-155.41
Dipole, Da:	2.95
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(3-hydroxyphenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC(C2=CC=CC=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations