Geometry & MOs

Info

ID:	55697
PubChem CID:	17395855
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	2.95
IP(EA), eV:	-8.44(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations