Geometry & MOs

Info

ID:	139723
PubChem CID:	52585165
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	289.086956
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	2.52
IP(EA), eV:	-9.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 1-chloroisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)OC2CCCCC2

DOS

IR

Vibrations