Geometry & MOs

Info

ID:	187210
PubChem CID:	77544343
Reduced:	ClF3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	349.176582
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	7.65
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[[3-[4-(trifluoromethyl)phenyl]pyrazolidin-4-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)NCC2CNNC2C3=CC=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations