Geometry & MOs

Info

ID:	255701
PubChem CID:	103134101
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	4.78
IP(EA), eV:	-8.14(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)CCC3=C2C=CC(=C3)N

DOS

IR

Vibrations