Geometry & MOs

Info

ID:	314630
PubChem CID:	126622521
Reduced:	FON7H18C23 (1)
Stoich.:	ABC7D18E23 (1)
Weight, g/mol:	530.329714
ΔH_f, kcal/mol:	84.82
Dipole, Da:	6.76
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-(dibenzylamino)-2-ethyl-5-(4-phenylphenyl)-1-pyrrolidin-1-ylpentan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=CC=CC=N4)NC5=C(C=NC=C5)F

DOS

IR

Vibrations