Geometry & MOs

Info

ID:	151968
PubChem CID:	56310802
Reduced:	BrO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-69.47
Dipole, Da:	3.4
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations