Geometry & MOs

Info

ID:	430884
PubChem CID:	135170951
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	7.27
Dipole, Da:	3.38
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=C(C=C2)N=CO3)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations