Geometry & MOs

Info

ID:	343159
PubChem CID:	127266332
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	61.61
Dipole, Da:	3.14
IP(EA), eV:	-8.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-(2-oxopiperidin-1-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C)NC(=O)NC2=NNC(=C2)C3=CN=CC=C3

DOS

IR

Vibrations