Geometry & MOs

Info

ID:	299403
PubChem CID:	117682821
Reduced:	BrON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	3.6
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)O)Br)C

DOS

IR

Vibrations