Geometry & MOs

Info

ID:	73709
PubChem CID:	48420069
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	302.083747
ΔH_f, kcal/mol:	-13.06
Dipole, Da:	4.71
IP(EA), eV:	-9.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)NC(=O)NCC2=CC=CO2

DOS

IR

Vibrations