Geometry & MOs

Info

ID:	194817
PubChem CID:	78593310
Reduced:	NO5C18H26 (1)
Stoich.:	AB5C18D26 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-180.56
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754650
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)OC)O

DOS

IR

Vibrations