Geometry & MOs

Info

ID:	130154
PubChem CID:	51075077
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	31.1
Dipole, Da:	3.59
IP(EA), eV:	-8.48(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCN3C=CC4=CC=CC=C43

DOS

IR

Vibrations