Geometry & MOs

Info

ID:	333875
PubChem CID:	127252427
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	31.19
Dipole, Da:	0.65
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methyl-1-pyrimidin-2-ylpyrrolidin-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C3=NC=CN=C3)C)C(=O)N(C)C

DOS

IR

Vibrations