Geometry & MOs

Info

ID:	351467
PubChem CID:	127280355
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	5.98
IP(EA), eV:	-9.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(isoquinoline-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations