Geometry & MOs

Info

ID:	343169
PubChem CID:	127266342
Reduced:	ClO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	3.58
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetylazetidin-3-yl)-3-(2-tert-butyl-1,3-benzoxazol-5-yl)urea

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=C(C=C1)NC(=O)NCC2=CN=C(C=N2)Cl

DOS

IR

Vibrations