Geometry & MOs

Info

ID:	329775
PubChem CID:	127246642
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-121.05
Dipole, Da:	6.32
IP(EA), eV:	-9.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCC(=O)O)C

DOS

IR

Vibrations