Geometry & MOs

Info

ID:	361667
PubChem CID:	127303999
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	375.18413
ΔH_f, kcal/mol:	21.19
Dipole, Da:	4.35
IP(EA), eV:	-8.86(-0.59)
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]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)CN4C=CC(=O)C5=CC=CC=C54

DOS

IR

Vibrations