Geometry & MOs

Info

ID:	256205
PubChem CID:	103137699
Reduced:	SN3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	341.05276
ΔH_f, kcal/mol:	70.1
Dipole, Da:	3.78
IP(EA), eV:	-7.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(3-bromophenyl)ethyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations