Geometry & MOs

Info

ID:	430723
PubChem CID:	135170790
Reduced:	FON3C26H30 (1)
Stoich.:	ABC3D26E30 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	2.67
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[(2-methylpyrimidin-5-yl)methylamino]cyclohex-3-en-1-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N[C@@H]2CCC3=C2C=CC(=C3)F)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations