Geometry & MOs

Info

ID:	223666
PubChem CID:	85335390
Reduced:	N2O4C29H38 (1)
Stoich.:	A2B4C29D38 (1)
Weight, g/mol:	479.183204
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	2.81
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N,N-dimethyl-6-[4-[1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)C(=O)NC(C)C1=CC=CC=C1)NC(=O)OCC2(CCCC2)CC3=CC=CC=C3

DOS

IR

Vibrations