Geometry & MOs

Info

ID:	187666
PubChem CID:	77606534
Reduced:	BrN2F3O3C17H20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	273.103275
ΔH_f, kcal/mol:	-275.6
Dipole, Da:	3.0
IP(EA), eV:	-9.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N'-(pyridin-4-ylmethyl)prop-2-enimidamide;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)O)C)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations