Geometry & MOs

Info

ID:	55817
PubChem CID:	17396611
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	4.28
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[(3-methoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations