Geometry & MOs

Info

ID:	443732
PubChem CID:	135259870
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-84.7
Dipole, Da:	6.11
IP(EA), eV:	-8.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCN1[C@@H](CN(C[C@@H]1C)CC2=CC(=C(C=C2)C(=O)N)O)C

DOS

IR

Vibrations