Geometry & MOs

Info

ID:	151763
PubChem CID:	56310535
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	4.76
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCC(CC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations