Geometry & MOs

Info

ID:	344030
PubChem CID:	127267206
Reduced:	BrON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	30.68
Dipole, Da:	3.07
IP(EA), eV:	-8.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)Br)NC(=O)NCCNC2=CC=CC=N2

DOS

IR

Vibrations