Geometry & MOs

Info

ID:	351451
PubChem CID:	127280339
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-16.05
Dipole, Da:	3.35
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations