Geometry & MOs

Info

ID:	342048
PubChem CID:	127264761
Reduced:	ClON6C12H13 (1)
Stoich.:	ABC6D12E13 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	55.56
Dipole, Da:	2.53
IP(EA), eV:	-9.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-1-phenylbutyl)-3-(2-methyl-1,3-thiazol-4-yl)urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NC=C(C=C2)Cl)C3=NNN=N3

DOS

IR

Vibrations