Geometry & MOs

Info

ID:	172082
PubChem CID:	75464351
Reduced:	ClNF2O4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	401.114234
ΔH_f, kcal/mol:	-205.33
Dipole, Da:	2.95
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-chloro-4-morpholin-4-ylphenyl)-3-[4-(methylamino)-3-nitrophenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)N3CCOCC3)Cl)OC(F)F

DOS

IR

Vibrations