Geometry & MOs

Info

ID:	172557
PubChem CID:	75524658
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	2.25
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)NC2=C(C=CC=N2)OCCCC#N

DOS

IR

Vibrations