Geometry & MOs

Info

ID:	370236
PubChem CID:	127337903
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-0.77
Dipole, Da:	7.33
IP(EA), eV:	-8.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)C(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations