Geometry & MOs

Info

ID:	171433
PubChem CID:	75376934
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	38.21
Dipole, Da:	5.07
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-benzylmorpholin-4-yl)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)CN1CCN(CC1)C2=NC(=NS2)C3CC3

DOS

IR

Vibrations