Geometry & MOs

Info

ID:	318121
PubChem CID:	126649042
Reduced:	NPO4C23H34 (1)
Stoich.:	ABC4D23E34 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-193.76
Dipole, Da:	1.91
IP(EA), eV:	-9.11(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6-cyano-1,3-benzoxazol-4-yl)-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(O)OCC(COCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations