Geometry & MOs

Info

ID:	293616
PubChem CID:	117394432
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	3.28
IP(EA), eV:	-8.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-6-(piperidin-2-ylmethyl)isoquinoline

Drug info:

PubChemData

Smile

CC(C)(CO)C1=CC(=C(C=C1)OC)C2=CC=CC=C2

DOS

IR

Vibrations