Geometry & MOs

Info

ID:	344020
PubChem CID:	127267196
Reduced:	N2O2C6H9 (2)
Stoich.:	A2B2C6D9 (2)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	7.61
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[2-methoxyethyl(methyl)amino]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations