Geometry & MOs

Info

ID:	177893
PubChem CID:	76249661
Reduced:	NF2O2H9C10 (2)
Stoich.:	AB2C2D9E10 (2)
Weight, g/mol:	471.111647
ΔH_f, kcal/mol:	-316.31
Dipole, Da:	2.93
IP(EA), eV:	-8.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC=C1NC(=O)C=CC2=C(C=C(C=C2)OC(F)F)OC(F)F

DOS

IR

Vibrations