Geometry & MOs

Info

ID:	174175
PubChem CID:	75734461
Reduced:	N2O5C24H40 (1)
Stoich.:	A2B5C24D40 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-277.97
Dipole, Da:	5.92
IP(EA), eV:	-9.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(CCC)C(C1=C(C=C(C=C1O)O)O)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations