Geometry & MOs

Info

ID:	343998
PubChem CID:	127267174
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	8.08
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNC(=O)NC2=C(C=CN=N2)OC

DOS

IR

Vibrations