Geometry & MOs

Info

ID:	443769
PubChem CID:	135259959
Reduced:	F2N4O4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	494.289306
ΔH_f, kcal/mol:	-131.25
Dipole, Da:	4.78
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[[(2S,6R)-4-[(4-methoxycarbonylphenyl)methyl]-2,6-dimethylpiperazin-1-yl]methyl]phenyl]methyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(COC1)COC2=CC=C(C=C2)CC(=O)NC3=NN(N=C3)CC4=CC(=C(C(=C4)F)OC)F

DOS

IR

Vibrations