Geometry & MOs

Info

ID:	368901
PubChem CID:	127330909
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	5.97
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3=NN=C4N3CCCC4

DOS

IR

Vibrations