Geometry & MOs

Info

ID:	85781
PubChem CID:	49879094
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	486.245333
ΔH_f, kcal/mol:	-22.73
Dipole, Da:	1.53
IP(EA), eV:	-8.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperidin-1-yl)propyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=NC=CN=C3C=C2)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations