Geometry & MOs

Info

ID:	137721
PubChem CID:	52251480
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	3.57
Dipole, Da:	3.12
IP(EA), eV:	-7.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3NC4=CC=C(C=C4)OC

DOS

IR

Vibrations