Geometry & MOs

Info

ID:	373724
PubChem CID:	131319303
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	238.037626
ΔH_f, kcal/mol:	-51.31
Dipole, Da:	3.96
IP(EA), eV:	-9.46(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-amino-4-(difluoromethyl)-1-benzothiophen-6-yl]acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2CC(CNCC2=C1)C

DOS

IR

Vibrations