Geometry & MOs

Info

ID:	300561
PubChem CID:	121360532
Reduced:	OH36C53 (1)
Stoich.:	AB36C53 (1)
Weight, g/mol:	333.079962
ΔH_f, kcal/mol:	159.17
Dipole, Da:	2.1
IP(EA), eV:	-8.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,2-difluoro-2-methoxyethoxy)-2,3,5,6-tetrafluorophenoxy]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC(=C7)C8=CC9=CC=CC=C9C=C8)C1=CC=CC=C1O

DOS

IR

Vibrations