Geometry & MOs

Info

ID:	361279
PubChem CID:	127302460
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	5.84
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)NC3=CC=C(C=C3)C4=CC=NN4

DOS

IR

Vibrations