Geometry & MOs

Info

ID:	243098
PubChem CID:	99215533
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	484.05686
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	6.07
IP(EA), eV:	-8.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-[4-(thiophene-2-carbonylamino)piperidin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations