Geometry & MOs

Info

ID:	352053
PubChem CID:	127283121
Reduced:	N2O3C17H30 (1)
Stoich.:	A2B3C17D30 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-185.78
Dipole, Da:	5.28
IP(EA), eV:	-9.68(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations