Geometry & MOs

Info

ID:	179021
PubChem CID:	76420917
Reduced:	ClO2N5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	314.268176
ΔH_f, kcal/mol:	7.05
Dipole, Da:	7.78
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-decyl-3-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)C2C3CCC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=N4)C(=O)N6CCC(C6)O

DOS

IR

Vibrations