Geometry & MOs

Info

ID:	339682
PubChem CID:	127261684
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	18.24
Dipole, Da:	5.26
IP(EA), eV:	-9.08(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-[(E)-heptan-2-ylideneamino]urea

Drug info:

PubChemData

Smile

C1CC2CCC(C2)/C(=N/NC(=O)N)/C1

DOS

IR

Vibrations