Geometry & MOs

Info

ID:	407144
PubChem CID:	135079425
Reduced:	SiO2C22H36 (1)
Stoich.:	AB2C22D36 (1)
Weight, g/mol:	391.093498
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	1.39
IP(EA), eV:	-9.01(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-(5-morpholin-4-yl-2-nitroanilino)benzoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H]([C@@H](C)COCC1=CC=CC=C1)[C@@H](C)C#CC

DOS

IR

Vibrations