Geometry & MOs

Info

ID:	198687
PubChem CID:	79136699
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	312.97721
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	4.68
IP(EA), eV:	-9.48(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-2-yl)-hydroxymethyl]-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2(CCC(CC2)(C)C)C#N)O

DOS

IR

Vibrations