Geometry & MOs

Info

ID:	343164
PubChem CID:	127266337
Reduced:	N3O5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	8.17
IP(EA), eV:	-9.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-2-yl)-3-[3-(oxan-2-yloxy)propyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCCCOC2CCCCO2

DOS

IR

Vibrations