Geometry & MOs

Info

ID:	352055
PubChem CID:	127283123
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-144.27
Dipole, Da:	6.51
IP(EA), eV:	-9.18(0.01)
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-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=CC=C2CNC(=O)NCC3(CCOCC3)O

DOS

IR

Vibrations