Geometry & MOs

Info

ID:	40807
PubChem CID:	8144733
Reduced:	FN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	423.209282
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	5.13
IP(EA), eV:	-9.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylpiperidin-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

DOS

IR

Vibrations