Geometry & MOs

Info

ID:	257089
PubChem CID:	103143693
Reduced:	NSC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	46.5
Dipole, Da:	3.06
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(CS1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations