Geometry & MOs

Info

ID:	255964
PubChem CID:	103135952
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	33.65
Dipole, Da:	3.37
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(pyridin-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1(CCCS1)C(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations