Geometry & MOs

Info

ID:	31434
PubChem CID:	855714
Reduced:	N4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	80.14
Dipole, Da:	3.62
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)N3CCNCC3)C#N

DOS

IR

Vibrations