Geometry & MOs

Info

ID:	297889
PubChem CID:	117636393
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	6.93
IP(EA), eV:	-8.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-(6-hydroxy-1,3-benzoxazol-2-yl)benzoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4(CC4)O)NC)N=O

DOS

IR

Vibrations