Geometry & MOs

Info

ID:	370693
PubChem CID:	127339882
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-35.26
Dipole, Da:	4.53
IP(EA), eV:	-9.34(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations