Geometry & MOs

Info

ID:	138331
PubChem CID:	52348947
Reduced:	BrON6H15C16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	369.085721
ΔH_f, kcal/mol:	72.01
Dipole, Da:	7.57
IP(EA), eV:	-9.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2C3=CC(=CC=C3)Br)C(=O)NC4=NC=NN4

DOS

IR

Vibrations