Geometry & MOs

Info

ID:	142766
PubChem CID:	53089624
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	432.184921
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	1.39
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-butoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC3=C(O2)C=C(C=C3)C(=O)NCCCN4CCCC4

DOS

IR

Vibrations