Geometry & MOs

Info

ID:	443708
PubChem CID:	135259792
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-42.3
Dipole, Da:	6.64
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2)C)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations