Geometry & MOs

Info

ID:	65412
PubChem CID:	29214880
Reduced:	OSN4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	406.182733
ΔH_f, kcal/mol:	49.67
Dipole, Da:	7.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767071
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[[(1S)-1-thiophen-2-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)[NH2+]C2CCN(CC2)C3=CC=CC(=C3)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations