Geometry & MOs

Info

ID:	361663
PubChem CID:	127303995
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	67.45
Dipole, Da:	5.25
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5

DOS

IR

Vibrations