Geometry & MOs

Info

ID:	337328
PubChem CID:	127257010
Reduced:	SiO3N5C31H31 (1)
Stoich.:	AB3C5D31E31 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	50.11
Dipole, Da:	2.86
IP(EA), eV:	-8.18(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylamino]ethyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1)/C=C/2\C=CC(=N2)/C=C\3/C=CC=N3)/C(=C\4/C(=C(C(=N4)OC(=O)C5=CN=CC=C5)O[Si](C)(C)C)C)/C

DOS

IR

Vibrations