Geometry & MOs

Info

ID:	370636
PubChem CID:	127339792
Reduced:	BrON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	45.81
Dipole, Da:	3.1
IP(EA), eV:	-9.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations