Geometry & MOs

Info

ID:	339661
PubChem CID:	127261663
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	213.030504
ΔH_f, kcal/mol:	21.37
Dipole, Da:	5.42
IP(EA), eV:	-9.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)/C(=N/NC(=O)N)/C2=CN=CC=C2

DOS

IR

Vibrations