Geometry & MOs

Info

ID:	430811
PubChem CID:	135170878
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	2.94
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N=C2COC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations