Geometry & MOs

Info

ID:	256405
PubChem CID:	103139046
Reduced:	BrNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	44.27
Dipole, Da:	3.5
IP(EA), eV:	-9.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CSC(=C3)Br)O

DOS

IR

Vibrations