Geometry & MOs

Info

ID:	372786
PubChem CID:	131304734
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	3.61
IP(EA), eV:	-9.26(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(7-chloro-1-benzofuran-2-yl)propanenitrile

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=CS2)C(=C1)C=O)[N+](=O)[O-]

DOS

IR

Vibrations