Geometry & MOs

Info

ID:	194371
PubChem CID:	78524632
Reduced:	ClO6C21H21 (1)
Stoich.:	AB6C21D21 (1)
Weight, g/mol:	405.134301
ΔH_f, kcal/mol:	-183.53
Dipole, Da:	2.39
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OCC(=O)C2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations