Geometry & MOs

Info

ID:	306227
PubChem CID:	125003035
Reduced:	OF3N4C29H37 (1)
Stoich.:	AB3C4D29E37 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-196.76
Dipole, Da:	5.7
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CC(=N1)[C@@H]2C[C@H](N[C@H]2C3=CC(=CC=C3)C(F)(F)F)C(=O)NC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations