Geometry & MOs

Info

ID:	368902
PubChem CID:	127330910
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-117.12
Dipole, Da:	3.26
IP(EA), eV:	-8.72(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)NCC3CCCOC3

DOS

IR

Vibrations