Geometry & MOs

Info

ID:	443764
PubChem CID:	135259947
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	478.07534
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	8.95
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S,6R)-4-(2-iodobenzoyl)-2,6-dimethylpiperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2C=O)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations