Geometry & MOs

Info

ID:	139443
PubChem CID:	52531751
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	3.83
IP(EA), eV:	-8.29(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoyl]piperidin-2-yl]methylurea

Drug info:

PubChemData

Smile

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)CC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations