Geometry & MOs

Info

ID:	443773
PubChem CID:	135259969
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-75.4
Dipole, Da:	4.74
IP(EA), eV:	-9.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R,6S)-2,6-dimethyl-4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)CC2=CC=CC=C2)C)CC3=CC=C(C=C3)/C=C/C(=O)O

DOS

IR

Vibrations