Geometry & MOs

Info

ID:	42996
PubChem CID:	10317658
Reduced:	O3C25H32 (1)
Stoich.:	A3B25C32 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	5.26
IP(EA), eV:	-9.81(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1,4-dibenzylpiperazin-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C4CC4)CCC5=CC(=O)CC[C@H]35

DOS

IR

Vibrations