Geometry & MOs

Info

ID:	189888
PubChem CID:	77920001
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	343.187147
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	5.1
IP(EA), eV:	-8.61(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(piperidin-1-ylmethyl)-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C2=C(N=CN2C(CO)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations