Geometry & MOs

Info

ID:	308045
PubChem CID:	125312629
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	337.240565
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	9.18
IP(EA), eV:	-9.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-benzyl-3,4-dimethyl-4-(3-propan-2-yloxyphenyl)piperidine

Drug info:

PubChemData

Smile

COCCN1[C@H](C2=C(C1=O)N=N[C@H]2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations