Geometry & MOs

Info

ID:	178362
PubChem CID:	76315759
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	424.159849
ΔH_f, kcal/mol:	-101.9
Dipole, Da:	3.19
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2,3-difluorophenoxy)methyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCNCC3=CN=CC=C3)C(C)C

DOS

IR

Vibrations