Geometry & MOs

Info

ID:	256128
PubChem CID:	103137241
Reduced:	BrN3H12C15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	87.5
Dipole, Da:	3.23
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-pyridin-4-ylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations