Geometry & MOs

Info

ID:	255579
PubChem CID:	103133123
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-37.91
Dipole, Da:	6.13
IP(EA), eV:	-9.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(pyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C(CCOC)N

DOS

IR

Vibrations