Geometry & MOs

Info

ID:	370066
PubChem CID:	127337328
Reduced:	ON8C18H26 (1)
Stoich.:	AB8C18D26 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	68.21
Dipole, Da:	8.0
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-4-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)N3CCN(CC3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations