Geometry & MOs

Info

ID:	347913
PubChem CID:	127272975
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	379.146681
ΔH_f, kcal/mol:	10.59
Dipole, Da:	3.18
IP(EA), eV:	-9.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NN2)C3=CC=CC=C3)C(=O)C4=CC5=C(COC5)C=C4

DOS

IR

Vibrations