Geometry & MOs

Info

ID:	124435
PubChem CID:	50883196
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	299.131014
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	5.12
IP(EA), eV:	-8.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-(2-methylphenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=C(C(=CC(=C2)C(C)(C)C)[N+](=O)[O-])OC

DOS

IR

Vibrations