Geometry & MOs

Info

ID:	255472
PubChem CID:	103132330
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	217.065827
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	3.22
IP(EA), eV:	-8.77(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-4-chlorobut-1-enyl]isoquinoline

Drug info:

PubChemData

Smile

CC(CNCCOC)(C1=NN(C=C1)C)O

DOS

IR

Vibrations