Geometry & MOs

Info

ID:	305953
PubChem CID:	124975899
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	335.185844
ΔH_f, kcal/mol:	39.77
Dipole, Da:	3.44
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@@H](C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations