Geometry & MOs

Info

ID:	56040
PubChem CID:	17403901
Reduced:	OCl2N5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	54.79
Dipole, Da:	5.9
IP(EA), eV:	-9.51(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N(C)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations