Geometry & MOs

Info

ID:	150207
PubChem CID:	53789894
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	331.083602
ΔH_f, kcal/mol:	12.34
Dipole, Da:	4.68
IP(EA), eV:	-8.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-(1H-1,2,4-triazol-5-yl)phenyl]-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(C1=NC2=CC=CC=C2N3CCOCC3)C

DOS

IR

Vibrations