Geometry & MOs

Info

ID:	257081
PubChem CID:	103143637
Reduced:	BrSN2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	78.3
Dipole, Da:	4.57
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylpyrrolidin-2-yl)isoquinoline

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(CSC3=CC(=CC=C3)Br)N

DOS

IR

Vibrations