Geometry & MOs

Info

ID:	145811
PubChem CID:	53598233
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	-161.97
Dipole, Da:	4.33
IP(EA), eV:	-9.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylmorpholin-4-yl)-(7-nitro-2,3-dihydro-1,4-benzodioxin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)C3=CC=C(O3)CS(=O)(=O)C)C)C

DOS

IR

Vibrations