Geometry & MOs

Info

ID:	256268
PubChem CID:	103138081
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	102.09
Dipole, Da:	3.4
IP(EA), eV:	-8.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-cyclobutylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC#N)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations