Geometry & MOs

Info

ID:	256271
PubChem CID:	103138118
Reduced:	N4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	50.6
Dipole, Da:	5.39
IP(EA), eV:	-7.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-prop-2-enylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)NCCN

DOS

IR

Vibrations