Geometry & MOs

Info

ID:	329785
PubChem CID:	127246652
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	14.88
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations