Geometry & MOs

Info

ID:	257100
PubChem CID:	103143776
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	0.69
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-1-(1-methoxycyclobutyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3(CCCC3)OC

DOS

IR

Vibrations