Geometry & MOs

Info

ID:	329800
PubChem CID:	127246667
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	6.49
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CCOC3=CC=CC=C3)C

DOS

IR

Vibrations