Geometry & MOs

Info

ID:	268217
PubChem CID:	103598439
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	44.46
Dipole, Da:	1.02
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-benzofuran-2-yl)prop-2-enoylamino]-3-methylurea

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations