Geometry & MOs

Info

ID:	351598
PubChem CID:	127280490
Reduced:	O4N5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	3.97
IP(EA), eV:	-9.42(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations