Geometry & MOs

Info

ID:	433492
PubChem CID:	135173629
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	397.186478
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	2.14
IP(EA), eV:	-8.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxycyclobutyl)oxy-1-[5-(3-methoxyprop-1-ynyl)-2-(trifluoromethyl)phenyl]piperidine

Drug info:

PubChemData

Smile

CC(C)OCC#CC1=CC(=CC=C1)N2CCN(CC2)CC3(CC(C3)OC)O

DOS

IR

Vibrations