Geometry & MOs

Info

ID:	80463
PubChem CID:	49834584
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	7.62
IP(EA), eV:	-8.21(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-4-(3-pyrrolidin-1-ylpropoxy)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)N2)OCCCN4CCCCC4

DOS

IR

Vibrations