Geometry & MOs

Info

ID:	305540
PubChem CID:	124958916
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	321.170194
ΔH_f, kcal/mol:	-33.47
Dipole, Da:	3.27
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)N2CC[C@](C2)(CN(C)C(=O)C3=NOC=C3)O

DOS

IR

Vibrations