Geometry & MOs

Info

ID:	27922
PubChem CID:	824161
Reduced:	F3O3N4H13C14 (1)
Stoich.:	A3B3C4D13E14 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	4.92
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrolidin-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(F)(F)F)C)[N+](=O)[O-]

DOS

IR

Vibrations