Geometry & MOs

Info

ID:	305541
PubChem CID:	124959064
Reduced:	N7C17H19 (1)
Stoich.:	A7B17C19 (1)
Weight, g/mol:	321.170194
ΔH_f, kcal/mol:	92.58
Dipole, Da:	6.33
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-4-ylpyrrolidin-2-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CN=C(N1)C2=CC(=NC(=N2)C)[C@@H]3CCCN3C4=NC=NC=C4

DOS

IR

Vibrations