Geometry & MOs

Info

ID:	187370
PubChem CID:	77566307
Reduced:	ION2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	495.233348
ΔH_f, kcal/mol:	13.14
Dipole, Da:	3.45
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-cyclopropyl-3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-oxopropyl]-piperidin-4-ylcarbamic acid

Drug info:

PubChemData

Smile

C1CC2C(C(C1)OC3=CC=CC=C3)C(NN2)I

DOS

IR

Vibrations