Geometry & MOs

Info

ID:	339656
PubChem CID:	127261658
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	3.9
IP(EA), eV:	-9.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(Z)-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea

Drug info:

PubChemData

Smile

C=CC1(CCCCC1)/C=N/NC(=O)N

DOS

IR

Vibrations