Geometry & MOs

Info

ID:	344079
PubChem CID:	127267255
Reduced:	FO2N6C11H13 (1)
Stoich.:	AB2C6D11E13 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	2.84
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NNC(=O)N1C)NC(=O)NC2=NC=C(C=C2)F

DOS

IR

Vibrations