Geometry & MOs

Info

ID:	155535
PubChem CID:	56365871
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	499.204196
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	6.95
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-1-phenyl-N-propyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OCC=C

DOS

IR

Vibrations