Geometry & MOs

Info

ID:	443785
PubChem CID:	135259987
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	446.293328
ΔH_f, kcal/mol:	76.42
Dipole, Da:	2.76
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CC(=O)NC3=NN(N=C3)CC4=CC=C(C=C4)OCC5CC5)C=N1

DOS

IR

Vibrations