Geometry & MOs

Info

ID:	360909
PubChem CID:	127301615
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	5.34
IP(EA), eV:	-9.2(0.05)
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]-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCC(CC2)C3=NN=CN3C4CC4

DOS

IR

Vibrations