Geometry & MOs

Info

ID:	433390
PubChem CID:	135173527
Reduced:	NO4C19H33 (1)
Stoich.:	AB4C19D33 (1)
Weight, g/mol:	426.213027
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	2.81
IP(EA), eV:	-9.41(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-4-(3-propan-2-yloxyprop-1-ynyl)-6-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC(C)OC1CN(C1)C(=O)C23CC(C2)(C3)COCCCCCOC

DOS

IR

Vibrations