Geometry & MOs

Info

ID:	31478
PubChem CID:	855768
Reduced:	N3C9H17 (2)
Stoich.:	A3B9C17 (2)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	33.78
Dipole, Da:	8.95
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NN=NN1C(C)(C)C)N2CCN(CC2)C3CCCC3

DOS

IR

Vibrations