Geometry & MOs

Info

ID:	443685
PubChem CID:	135259761
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	508.341341
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	7.9
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-4-[[3-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)NC2=CC=CC=C2C)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations