Geometry & MOs

Info

ID:	434106
PubChem CID:	135174264
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	437.229012
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	1.57
IP(EA), eV:	-8.57(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methylpropoxy)-5-[[5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C=CCCCCCCCC=CN

DOS

IR

Vibrations