Geometry & MOs

Info

ID:	173939
PubChem CID:	75703010
Reduced:	N3O5C25H35 (1)
Stoich.:	A3B5C25D35 (1)
Weight, g/mol:	510.175064
ΔH_f, kcal/mol:	-130.76
Dipole, Da:	3.95
IP(EA), eV:	-9.66(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)N(CC1=CC=CO1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(C)(C)C

DOS

IR

Vibrations