Geometry & MOs

Info

ID:	426047
PubChem CID:	135135413
Reduced:	ClN2O2F3C16H18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	246.134383
ΔH_f, kcal/mol:	-234.99
Dipole, Da:	3.57
IP(EA), eV:	-9.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC=C(C1)C2=CC(=NC(=C2)Cl)C(F)(F)F

DOS

IR

Vibrations