Geometry & MOs

Info

ID:	31644
PubChem CID:	855973
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	3.48
IP(EA), eV:	-8.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations