Geometry & MOs

Info

ID:	257068
PubChem CID:	103143534
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	1.11
IP(EA), eV:	-8.9(2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(pyrimidin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC(C2)(C)O

DOS

IR

Vibrations