Geometry & MOs

Info

ID:	355572
PubChem CID:	127289330
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	0.76
IP(EA), eV:	-8.89(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-4-yl-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CNC(=O)NC3CCCCC3

DOS

IR

Vibrations