Geometry & MOs

Info

ID:	332766
PubChem CID:	127251076
Reduced:	FO2N6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	0.62
IP(EA), eV:	-8.77(-0.36)
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-methyl-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(N=C2C3CCN(C3)C(=O)COC4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations