Geometry & MOs

Info

ID:	256272
PubChem CID:	103138122
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	297.103275
ΔH_f, kcal/mol:	67.41
Dipole, Da:	3.85
IP(EA), eV:	-7.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloropyridin-4-yl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

C=CCNC1=C2C=NC=CC2=C(C=C1)N

DOS

IR

Vibrations