Geometry & MOs

Info

ID:	137297
PubChem CID:	52185327
Reduced:	N3O4C20H33 (1)
Stoich.:	A3B4C20D33 (1)
Weight, g/mol:	305.083413
ΔH_f, kcal/mol:	-162.53
Dipole, Da:	4.59
IP(EA), eV:	-8.9(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-3-nitrophenyl)-3-(2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H](CNC(=O)NCCCOC[C@@H]2CCCO2)C3=CC=CO3

DOS

IR

Vibrations