Geometry & MOs

Info

ID:	255998
PubChem CID:	103136184
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	270.082684
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	2.54
IP(EA), eV:	-8.39(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

C[C@H]1CNCCN1CC2CCC(O2)C

DOS

IR

Vibrations