Geometry & MOs

Info

ID:	66352
PubChem CID:	46504415
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	419.144098
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	4.86
IP(EA), eV:	-8.13(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-nitro-7-(3,4,5-trimethoxyanilino)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCC12OCCO2)C3=CC(=C4C5=C(C6=CC=CC=C6C4=O)ON=C35)NCCC(=O)O

DOS

IR

Vibrations