Geometry & MOs

Info

ID:	65317
PubChem CID:	29212056
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	520.204531
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	4.52
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=C(C(=CC=C2)OC)OC)CN(C)C[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations