Geometry & MOs

Info

ID:	344084
PubChem CID:	127267260
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	320.123303
ΔH_f, kcal/mol:	-84.97
Dipole, Da:	5.2
IP(EA), eV:	-9.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(NC1=O)C2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC)C

DOS

IR

Vibrations