Geometry & MOs

Info

ID:	130440
PubChem CID:	51090866
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	311.149458
ΔH_f, kcal/mol:	39.79
Dipole, Da:	8.06
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NNC(=N3)C(C)C

DOS

IR

Vibrations