Geometry & MOs

Info

ID:	375401
PubChem CID:	131500207
Reduced:	NOF4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	218.103083
ΔH_f, kcal/mol:	-215.23
Dipole, Da:	4.6
IP(EA), eV:	-9.53(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-methyl-1-[3-(trifluoromethyl)pyridin-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1[C@H](C2=C(O1)C(=C(C=C2)C(F)(F)F)F)N

DOS

IR

Vibrations