Geometry & MOs

Info

ID:	443809
PubChem CID:	135260041
Reduced:	FN5H8C10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	388.215078
ΔH_f, kcal/mol:	74.42
Dipole, Da:	3.76
IP(EA), eV:	-9.17(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-3,5-dimethyl-4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2N=CC(=N2)N)F)C#N

DOS

IR

Vibrations