Geometry & MOs

Info

ID:	178363
PubChem CID:	76315760
Reduced:	F2N2O3H22C24 (1)
Stoich.:	A2B2C3D22E24 (1)
Weight, g/mol:	424.159849
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	4.05
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=CC=C2)OCCNCC3=CN=CC=C3)COC4=C(C(=CC=C4)F)F

DOS

IR

Vibrations