Geometry & MOs

Info

ID:	344086
PubChem CID:	127267262
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	3.75
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[3-(5-oxo-1H-1,2,4-triazol-4-yl)propyl]urea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCCCN2C=NNC2=O

DOS

IR

Vibrations