Geometry & MOs

Info

ID:	352664
PubChem CID:	127283753
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	0.88
IP(EA), eV:	-8.93(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34)C

DOS

IR

Vibrations