Geometry & MOs

Info

ID:	333872
PubChem CID:	127252424
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	4.49
IP(EA), eV:	-9.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2(CCCN2C(=O)COC)C)C

DOS

IR

Vibrations