Geometry & MOs

Info

ID:	14020
PubChem CID:	401567
Reduced:	NO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	239.094629
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	1.06
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations