Geometry & MOs

Info

ID:	136202
PubChem CID:	51997387
Reduced:	NO3C16H28 (1)
Stoich.:	AB3C16D28 (1)
Weight, g/mol:	480.120535
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.096010
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C[NH2+]CCCCO)OC(C)C

DOS

IR

Vibrations