Geometry & MOs

Info

ID:	62751
PubChem CID:	26736615
Reduced:	OCl2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	376.160935
ΔH_f, kcal/mol:	19.07
Dipole, Da:	24.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897999
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-3-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C2=CC(=NC(=C2)Cl)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations