Geometry & MOs

Info

ID:	340803
PubChem CID:	127263238
Reduced:	N2O2H10C11 (3)
Stoich.:	A2B2C10D11 (3)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	7.08
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(1,3-benzoxazol-6-ylmethyl)carbamate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)O)C)NC(=O)C3=CC(=CN3C)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations