Geometry & MOs

Info

ID:	345534
PubChem CID:	127269834
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	5.82
IP(EA), eV:	-8.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCC(C3)C

DOS

IR

Vibrations