Geometry & MOs

Info

ID:	338181
PubChem CID:	127258873
Reduced:	NOCl3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	1.45
Dipole, Da:	0.24
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-amino-2-oxopropyl)-5-methylbenzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)/C=N/O)Cl)Cl

DOS

IR

Vibrations