Geometry & MOs

Info

ID:	337322
PubChem CID:	127257004
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	4.61
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)ethyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(C)C2=C(C=CC=N2)C(=O)O

DOS

IR

Vibrations