Geometry & MOs

Info

ID:	30907
PubChem CID:	853762
Reduced:	N2O3H8C10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	5.04
IP(EA), eV:	-9.75(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-5-(propan-2-ylcarbamoylamino)phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC(=O)CC#N

DOS

IR

Vibrations