Geometry & MOs

Info

ID:	329778
PubChem CID:	127246645
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	299.210996
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	4.21
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC=CC(=O)N3)C

DOS

IR

Vibrations