Geometry & MOs

Info

ID:	139238
PubChem CID:	52496637
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	341.234137
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	4.74
IP(EA), eV:	-8.42(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-cyclohexyl-2-(isoquinolin-5-ylcarbamoylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCNC(=O)[C@@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations