Geometry & MOs

Info

ID:	345791
PubChem CID:	127270091
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	5.09
IP(EA), eV:	-9.4(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCC(CC2)N3C=CN=C3

DOS

IR

Vibrations