Geometry & MOs

Info

ID:	322304
PubChem CID:	126669688
Reduced:	N2O7C23H36 (1)
Stoich.:	A2B7C23D36 (1)
Weight, g/mol:	335.212826
ΔH_f, kcal/mol:	-254.8
Dipole, Da:	5.26
IP(EA), eV:	-9.4(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-[(4-chlorophenyl)methyl]-1-ethyl-2-methyl-4-piperidin-4-ylpiperazine

Drug info:

PubChemData

Smile

CCNC(=O)OC1CN(C1)C(=O)O[C@@H]2CC[C@]3(CO3)C([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations