Geometry & MOs

Info

ID:	306331
PubChem CID:	125003780
Reduced:	N2O3C30H40 (1)
Stoich.:	A2B3C30D40 (1)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	6.21
IP(EA), eV:	-9.05(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-(4-tert-butylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC[C@@](C2)(CC(=O)N3CCCCC3)COC4=CC=CC=C4

DOS

IR

Vibrations