Geometry & MOs

Info

ID:	186665
PubChem CID:	77464559
Reduced:	N2O2F3H17C22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	357.154035
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	6.76
IP(EA), eV:	-9.75(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1-methyl-3-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(C1C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations