Geometry & MOs

Info

ID:	446425
PubChem CID:	135274860
Reduced:	FON4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	410.04415
ΔH_f, kcal/mol:	71.41
Dipole, Da:	2.61
IP(EA), eV:	-8.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(5-bromo-2,4-difluorophenyl)methylamino]pyridin-2-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\C=C(\C1=NN2C=CC=C2C(=N1)OC3=CC=CC=C3)/N=C)/F

DOS

IR

Vibrations