Geometry & MOs

Info

ID:	344076
PubChem CID:	127267252
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	320.123303
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	4.99
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)N3C(=O)NNC3=O

DOS

IR

Vibrations