Geometry & MOs

Info

ID:	374821
PubChem CID:	131348144
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	238.037626
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	2.69
IP(EA), eV:	-8.72(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-2-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=CC=C2N=C1)N

DOS

IR

Vibrations