Geometry & MOs

Info

ID:	426135
PubChem CID:	135141049
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	374.181727
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	3.69
IP(EA), eV:	-8.73(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-hydroxypropyl)oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CN(CCN(C)C1(CCOCC1)CN)CC2=CC=CC=C2

DOS

IR

Vibrations