Geometry & MOs

Info

ID:	5588
PubChem CID:	13365
Reduced:	ON2C9H20 (1)
Stoich.:	AB2C9D20 (1)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	3.36
IP(EA), eV:	-9.54(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-di(butan-2-yl)urea

Drug info:

PubChemData

Smile

CCC(C)NC(=O)NC(C)CC

DOS

IR

Vibrations