Geometry & MOs

Info

ID:	430821
PubChem CID:	135170888
Reduced:	ClSN3O4C17H18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	4.25
IP(EA), eV:	-8.62(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(pyridin-4-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)CO

DOS

IR

Vibrations