Geometry & MOs

Info

ID:	257130
PubChem CID:	103143956
Reduced:	ClN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	275.142248
ΔH_f, kcal/mol:	64.2
Dipole, Da:	3.51
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-isoquinolin-8-ylpyridin-3-yl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CNCC1=C(C=C(C=C1)C2=CC=CC3=C2C=NC=C3)Cl

DOS

IR

Vibrations