Geometry & MOs

Info

ID:	443797
PubChem CID:	135260006
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	3.77
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(3S,5R)-4-(furan-2-carbonyl)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)C2=CC(=CC=C2)Cl)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations