Geometry & MOs

Info

ID:	173970
PubChem CID:	75707037
Reduced:	N3O5C27H37 (1)
Stoich.:	A3B5C27D37 (1)
Weight, g/mol:	481.1849
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	4.66
IP(EA), eV:	-9.74(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations