Geometry & MOs

Info

ID:	352086
PubChem CID:	127283154
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-152.93
Dipole, Da:	3.04
IP(EA), eV:	-8.72(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)NCC2(CCOCC2)O

DOS

IR

Vibrations