Geometry & MOs

Info

ID:	317431
PubChem CID:	126637620
Reduced:	N5O6C32H39 (1)
Stoich.:	A5B6C32D39 (1)
Weight, g/mol:	255.1987
ΔH_f, kcal/mol:	-200.11
Dipole, Da:	5.73
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-7-methyl-5-[(E)-pent-3-enylidene]-7-propyl-6,8-dihydroisoquinoline

Drug info:

PubChemData

Smile

CCC1=C2C=CC(=CC2=NC=C1)OCC3CCC(O3)N4C=CC5=C4N=CN=C5N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations