Geometry & MOs

Info

ID:	368868
PubChem CID:	127330838
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	5.75
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)C(=O)C3(CCCC3)O

DOS

IR

Vibrations