Geometry & MOs

Info

ID:	306117
PubChem CID:	125001673
Reduced:	OF3N3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	2.26
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3R)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CC2=CC=NC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations