Geometry & MOs

Info

ID:	45658
PubChem CID:	10516137
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	269.090807
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	1.59
IP(EA), eV:	-8.73(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(dimethylamino)methyl]-2-ethyl-6,7-dihydro-5H-thieno[2,3-b]thiepin-4-one

Drug info:

PubChemData

Smile

CC[C@@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations