Geometry & MOs

Info

ID:	355440
PubChem CID:	127288503
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	9.11
Dipole, Da:	6.19
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C=CC(=O)C3=CC=CC=C32)N4C=NC=N4

DOS

IR

Vibrations