Geometry & MOs

Info

ID:	257095
PubChem CID:	103143744
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	84.92
Dipole, Da:	3.81
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylpyridin-4-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=NC=C(C=N3)C

DOS

IR

Vibrations