Geometry & MOs

Info

ID:	273759
PubChem CID:	103799554
Reduced:	BrNO5C14H20 (1)
Stoich.:	ABC5D14E20 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-189.22
Dipole, Da:	3.09
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC(=C(C(=C1)OC)Br)OC

DOS

IR

Vibrations