Geometry & MOs

Info

ID:	430721
PubChem CID:	135170788
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	32.1
Dipole, Da:	5.54
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(2-methylpyrimidin-5-yl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CN=C4

DOS

IR

Vibrations