Geometry & MOs

Info

ID:	332760
PubChem CID:	127251070
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	13.33
Dipole, Da:	4.17
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)CCC4=CC=CC=C4OC)N(C)C

DOS

IR

Vibrations