Geometry & MOs

Info

ID:	416446
PubChem CID:	135089459
Reduced:	FO3N4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-89.73
Dipole, Da:	4.36
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(ON=C1N(C)C)C2=CC(=C(C=C2)F)OC)CN(C)C

DOS

IR

Vibrations