Geometry & MOs

Info

ID:	373059
PubChem CID:	131309265
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	250.99458
ΔH_f, kcal/mol:	-111.61
Dipole, Da:	3.12
IP(EA), eV:	-9.0(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-2,3-dihydro-1-benzofuran-2-yl)propanenitrile

Drug info:

PubChemData

Smile

COC1=C2[C@H](CCOC2=C(C=C1)CO)N

DOS

IR

Vibrations