Geometry & MOs

Info

ID:	332757
PubChem CID:	127251067
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	5.38
IP(EA), eV:	-8.78(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)C4=CC5=C(C=C4)OCCO5)N(C)C

DOS

IR

Vibrations