Geometry & MOs

Info

ID:	164524
PubChem CID:	74411259
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-208.56
Dipole, Da:	5.75
IP(EA), eV:	-9.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-1-[2-[2-(methylamino)propanoylamino]butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2CCC(CC2C(=O)N1)NC(=O)C3=C(OC(=N3)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations