Geometry & MOs

Info

ID:	426034
PubChem CID:	135135147
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	246.134383
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	2.9
IP(EA), eV:	-9.18(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)-3,4-dihydropyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)OCC2CCNC2

DOS

IR

Vibrations