Geometry & MOs

Info

ID:	329811
PubChem CID:	127246678
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	3.31
IP(EA), eV:	-9.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCC3=NN=C(O3)C(C)C)C

DOS

IR

Vibrations