Geometry & MOs

Info

ID:	421624
PubChem CID:	135116313
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	268.145474
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	4.46
IP(EA), eV:	-9.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC4=C(CCCC4)N=C3

DOS

IR

Vibrations