Geometry & MOs

Info

ID:	419593
PubChem CID:	135108527
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	4.27
Dipole, Da:	11.59
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclohexyl(methyl)amino]-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)C(CC2=CN=CN2)C(=O)N(CCO)CC3=NC=CN3

DOS

IR

Vibrations