Geometry & MOs

Info

ID:	132020
PubChem CID:	51292464
Reduced:	FOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.37
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylmorpholin-4-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)F

DOS

IR

Vibrations