Geometry & MOs

Info

ID:	155577
PubChem CID:	56366000
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	7.02
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-1-benzyl-N-propyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CSC(=C3)Br

DOS

IR

Vibrations