Geometry & MOs

Info

ID:	56117
PubChem CID:	17413704
Reduced:	OSN6C9H10 (1)
Stoich.:	ABC6D9E10 (1)
Weight, g/mol:	350.085577
ΔH_f, kcal/mol:	104.69
Dipole, Da:	6.57
IP(EA), eV:	-9.65(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)SC2=NN=NN2C3CC3

DOS

IR

Vibrations