Geometry & MOs

Info

ID:	135960
PubChem CID:	51959373
Reduced:	BrClO2N3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	1.91
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H](CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)Cl)N4CCCC4

DOS

IR

Vibrations