Geometry & MOs

Info

ID:	423851
PubChem CID:	135120498
Reduced:	FN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	2.64
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-1-[(4-ethylphenyl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)F)CO

DOS

IR

Vibrations