Geometry & MOs

Info

ID:	375428
PubChem CID:	131529638
Reduced:	ClNSO3C9H12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	5.61
IP(EA), eV:	-10.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(CO)N)S(=O)(=O)Cl

DOS

IR

Vibrations