Geometry & MOs

Info

ID:	185738
PubChem CID:	77342090
Reduced:	O7C25H34 (1)
Stoich.:	A7B25C34 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-287.59
Dipole, Da:	5.1
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(2-oxo-1-phenylbutyl)urea

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C=CCOC2=CC=CC(=C2)C3OC(C(O3)C(=O)O)C(=O)O

DOS

IR

Vibrations