Geometry & MOs

Info

ID:	444459
PubChem CID:	135262501
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	187.005162
ΔH_f, kcal/mol:	18.93
Dipole, Da:	2.07
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoyl-1,3-thiazol-5-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=CCC(CC3)N4CCOCC4)NN=C2

DOS

IR

Vibrations