Geometry & MOs

Info

ID:	69373
PubChem CID:	46530882
Reduced:	ClON4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	427.148511
ΔH_f, kcal/mol:	54.15
Dipole, Da:	5.28
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations