Geometry & MOs

Info

ID:	141264
PubChem CID:	52850600
Reduced:	F2N2O3H18C20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	393.05398
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	9.25
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(3-bromophenyl)-N-[(2,6-difluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)NC3=CC(=C(C=C3NC(=O)C)F)F)C

DOS

IR

Vibrations