Geometry & MOs

Info

ID:	342128
PubChem CID:	127264841
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	272.150033
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	1.52
IP(EA), eV:	-9.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine

Drug info:

PubChemData

Smile

C1COCC12C(=O)N(C(=O)N2)CC=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations