Geometry & MOs

Info

ID:	64757
PubChem CID:	29203955
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	9.88
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-morpholin-4-yl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCC2

DOS

IR

Vibrations