Geometry & MOs

Info

ID:	69358
PubChem CID:	46530828
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	427.135505
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	6.16
IP(EA), eV:	-8.66(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations