Geometry & MOs

Info

ID:	376488
PubChem CID:	134222504
Reduced:	O3N4C26H36 (2)
Stoich.:	A3B4C26D36 (2)
Weight, g/mol:	636.461456
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	14.84
IP(EA), eV:	-8.24(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-nitrophenyl)diazenyl]-N-octadecylanilino]ethyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN(CCOC(=O)C(C)(C)CC)C1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations