Geometry & MOs

Info

ID:	22905
PubChem CID:	599806
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	13.94
Dipole, Da:	7.11
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1C2=NN(C=N2)C

DOS

IR

Vibrations