Geometry & MOs

Info

ID:	430891
PubChem CID:	135170958
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	5.12
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)S(=O)C

DOS

IR

Vibrations