Geometry & MOs

Info

ID:	329814
PubChem CID:	127246681
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	56.7
Dipole, Da:	6.55
IP(EA), eV:	-9.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-imidazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC(=NN3)C4=CN=CC=C4)C

DOS

IR

Vibrations