Geometry & MOs

Info

ID:	367012
PubChem CID:	127322867
Reduced:	N3O4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-195.78
Dipole, Da:	7.21
IP(EA), eV:	-8.88(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-yl-[4-(1-propoxyisoquinoline-3-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C(C1)C(=O)N2CCCC2)C(=O)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations