Geometry & MOs

Info

ID:	356566
PubChem CID:	127291792
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	6.89
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C)C

DOS

IR

Vibrations