Geometry & MOs

Info

ID:	56123
PubChem CID:	17417106
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	363.062198
ΔH_f, kcal/mol:	-57.37
Dipole, Da:	1.38
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations