Geometry & MOs

Info

ID:	9286
PubChem CID:	87739
Reduced:	N2O6C37H44 (1)
Stoich.:	A2B6C37D44 (1)
Weight, g/mol:	612.319937
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	11.98
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)[N+](=O)[O-])O)C(C)(C)CC

DOS

IR

Vibrations