Geometry & MOs

Info

ID:	282358
PubChem CID:	103923364
Reduced:	N2O3C18H36 (1)
Stoich.:	A2B3C18D36 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	-205.6
Dipole, Da:	3.63
IP(EA), eV:	-8.79(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-(isoquinolin-4-ylmethyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)(CNC1CC(OC(C1)C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations