Geometry & MOs

Info

ID:	370092
PubChem CID:	127337408
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	11.52
Dipole, Da:	8.91
IP(EA), eV:	-8.28(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-4-ylmethyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCCC3=CN4CCCCC4=N3

DOS

IR

Vibrations