Geometry & MOs

Info

ID:	361659
PubChem CID:	127303991
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	3.88
IP(EA), eV:	-9.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations