Geometry & MOs

Info

ID:	344077
PubChem CID:	127267253
Reduced:	O4N6C13H16 (1)
Stoich.:	A4B6C13D16 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-43.67
Dipole, Da:	5.19
IP(EA), eV:	-9.43(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC(C)C2=NNC(=O)N2C

DOS

IR

Vibrations