Geometry & MOs

Info

ID:	65431
PubChem CID:	29214955
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	461.127009
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	3.39
IP(EA), eV:	-8.51(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CCN(C[C@@H]2CCO)CC3=C(C(=C(C=C3)OC)C)OC

DOS

IR

Vibrations