Geometry & MOs

Info

ID:	332776
PubChem CID:	127251086
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	436.238688
ΔH_f, kcal/mol:	6.24
Dipole, Da:	3.08
IP(EA), eV:	-8.49(-0.08)
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-(2-fluorophenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CCC(C2)C3=NC(=NC=C3C4=CN(N=C4)C)N(C)C)CO

DOS

IR

Vibrations