Geometry & MOs

Info

ID:	256781
PubChem CID:	103141361
Reduced:	BrFN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	42.74
Dipole, Da:	6.42
IP(EA), eV:	-8.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrrolidin-3-yl)methyl]-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C(=CC=C3)F)Br)NN

DOS

IR

Vibrations