Geometry & MOs

Info

ID:	245367
PubChem CID:	99443908
Reduced:	FNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	352.195092
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	2.6
IP(EA), eV:	-8.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-3-[4-(dimethylamino)phenyl]-N-[(1R)-1-(2-fluorophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)N(C2CC2)C(=O)CCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations