Geometry & MOs

Info

ID:	306355
PubChem CID:	125003894
Reduced:	N2O2C31H36 (1)
Stoich.:	A2B2C31D36 (1)
Weight, g/mol:	468.277678
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	6.3
IP(EA), eV:	-9.25(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyloxan-4-yl)-[(3S)-3-[6-[(3-methylphenyl)methyl]pyridin-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=NC(=CC=C2)[C@@H]3CCCN(C3)C(=O)C4(CCOCC4)CC5=CC=CC=C5

DOS

IR

Vibrations