Geometry & MOs

Info

ID:	343163
PubChem CID:	127266336
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	337.163771
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	6.26
IP(EA), eV:	-9.23(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-[3-(oxan-2-yloxy)propyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCCCN2C(=O)NC3=NC=NC=C3

DOS

IR

Vibrations