Geometry & MOs

Info

ID:	297287
PubChem CID:	117614514
Reduced:	O2F3N4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	415.97387
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	4.56
IP(EA), eV:	-7.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-bromo-2,5-difluorophenyl)-3-chloro-4-(prop-1-en-2-ylamino)pyridine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CN(CC=C1)C(=NN)C(=O)N2C[C@H]3CC(C[C@H]3C2)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations