Geometry & MOs

Info

ID:	306330
PubChem CID:	125003778
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	5.93
IP(EA), eV:	-8.84(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2CCN(C[C@H](C2)C(=O)N)C3CCOCC3

DOS

IR

Vibrations