Geometry & MOs

Info

ID:	395165
PubChem CID:	135024829
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	286.121846
ΔH_f, kcal/mol:	-131.24
Dipole, Da:	1.16
IP(EA), eV:	-9.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-imino-N-isoquinolin-7-yl-8H-isoquinolin-8-amine

Drug info:

PubChemData

Smile

CO[C@H](/C=C/C(=O)OC)[C@@H](C1=CC=CC=C1)O

DOS

IR

Vibrations