Geometry & MOs

Info

ID:	257262
PubChem CID:	103144755
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	4.82
IP(EA), eV:	-8.19(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2,5-dimethylphenyl)-3-cyclobutylurea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NS(=O)(=O)CC2=CC=CC=C2)C)N

DOS

IR

Vibrations